UCSF

ZINC39500195

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 28 Yes

Popular Name: (3aS,8aS)-6-(4-methylpiperazin-1-yl)-3-(3-phenylpropyl)-7,8a-dihydro-3aH-imidazo[4,5-e][1,3]diazepin (3aS,8aS)-6-(4-methylpiperazin-1…

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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) 0.66 5.47 -47.57 0 8 -1 87 381.46 5 ↓
Mid Mid (pH 6-8) 0.47 9.26 -58.74 2 8 1 82 383.476 5 ↓
Mid Mid (pH 6-8) 0.66 7.81 -59.87 1 8 0 88 382.468 5 ↓

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

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