UCSF

ZINC21540156

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 33 Yes

Popular Name: 2-amino-1-(3-morpholinopropyl)-N-(p-tolyl)pyrrolo[5,4-b]quinoxaline-3-carboxamide 2-amino-1-(3-morpholinopropyl)-N…

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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) 3.34 7.18 -23.74 3 8 0 98 444.539 6 ↓
Mid Mid (pH 6-8) 3.34 7.56 -36.01 4 8 1 100 445.547 6 ↓
Mid Mid (pH 6-8) 3.34 9.88 -95.61 5 8 2 101 446.555 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.