UCSF

ZINC40442531

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 22 Yes

Popular Name: 1-Benzyl-1,2-dimethyl-1H-benzo[e]indole 1-Benzyl-1,2-dimethyl-1H-benzo[e…

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CAS Numbers: 891503-75-6 , [891503-75-6]

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) 5.70 11.17 -9.31 0 1 0 12 285.39 2 ↓
Lo Low (pH 4.5-6) 5.70 11.55 -32.04 1 1 1 14 286.398 2 ↓

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

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