UCSF

ZINC60119637

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 31 Yes

Popular Name: (4S)-2-amino-1-(4-fluorophenyl)-8,8-dimethyl-5-oxo-4-phenyl-4,6,7,9-tetrahydropyrido[3,2-c]azepine-3 (4S)-2-amino-1-(4-fluorophenyl)-…

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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) 3.88 6.73 -39.26 5 6 1 101 421.496 3 ↓
Mid Mid (pH 6-8) 3.88 6.71 -9.67 4 6 0 99 420.488 3 ↓

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

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