UCSF

ZINC03787618

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 24 Yes

Popular Name: (5-Amino-1,2-dihydro-2-methyl-3-phenylpyrido(3,4-b)pyrazin-7-yl)carbamic acid ethyl ester; Carbamic acid, (5-amino-1,2-dihydro-2-methyl-3-phenylpyrido(3,4-b)pyrazin-7-yl)-, ethyl ester; LS-48938; NSC 350386 (5-Amino-1,2-dihydro-2-methyl-3-…

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Other Names:

A___PH014089

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 4.37 -28.51 5 7 1 103 326.38 4 ↓
Mid Mid (pH 6-8) 3.37 4.58 -13.28 4 7 0 102 325.372 4 ↓
Lo Low (pH 4.5-6) 3.37 4.71 -85.64 6 7 2 104 327.388 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 17 0.45 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 17 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 17 0.45 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )