UCSF

ZINC13634514

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 21 Yes

Popular Name: 1-styryl-2H-pyrido[3,4-b]indole 1-styryl-2H-pyrido[3,4-b]indole

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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) 4.99 10.36 -32.59 2 2 1 30 271.343 2 ↓
Hi High (pH 8-9.5) 4.99 10.02 -7.96 1 2 0 29 270.335 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103200-1-O 769-P (cluster #1 Of 1), Other Other 7800 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103200 Z103200 769-P 7800 0.34 Functional ≤ 10μM

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