UCSF

ZINC60119473

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 30 Yes

Popular Name: (4S)-2-amino-4-(4-chlorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7,8,9-tetrahydro-4H-pyrido[3,2-c]azepine- (4S)-2-amino-4-(4-chlorophenyl)-…

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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) 3.67 6.5 -44.04 5 6 1 101 427.887 3 ↓
Mid Mid (pH 6-8) 3.67 6.34 -10.69 4 6 0 99 426.879 3 ↓

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

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