UCSF

ZINC65492859

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 Yes

Popular Name: (3aR,7S)-7-(4-chlorophenyl)-2-(1-methoxy-1-methyl-ethyl)-5,6,7,8-tetrahydro-3aH-imidazo[4,5-c]azepin (3aR,7S)-7-(4-chlorophenyl)-2-(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) 3.25 5.08 -17.08 2 5 0 67 333.819 3 ↓
Lo Low (pH 4.5-6) 3.25 5.47 -33.61 3 5 1 68 334.827 3 ↓

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Rings

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

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