UCSF

ZINC60119490

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 32 No

Popular Name: (4S)-2-amino-1-(4-fluorophenyl)-4-(4-nitrophenyl)-5-oxo-6,7,8,9-tetrahydro-4H-pyrido[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) 2.95 6.69 -54.1 5 9 1 147 438.439 4 ↓
Mid Mid (pH 6-8) 2.95 6.53 -14.89 4 9 0 145 437.431 4 ↓

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

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