UCSF

ZINC69236390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 Yes

Popular Name: N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]ethanamine N-[(7-methoxy-4,5-dihydro-3H-ben…

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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) 2.08 5.12 -30.3 3 4 1 51 258.345 4 ↓
Hi High (pH 8-9.5) 2.08 4.43 -7.27 2 4 0 50 257.337 4 ↓
Mid Mid (pH 6-8) 2.08 5.79 -43.66 3 4 1 55 258.345 4 ↓

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

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