UCSF

ZINC71589452

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 28 Yes

Popular Name: (3S)-4-[(4-fluorophenyl)methyl]-1-(5-hydroxypyridine-2-carbonyl)-3-isopropyl-1,4-diazepan-5-one (3S)-4-[(4-fluorophenyl)methyl]-…

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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) 2.31 8.83 -41.66 0 6 -1 77 384.431 4 ↓
Mid Mid (pH 6-8) 2.31 8.05 -12.13 1 6 0 74 385.439 4 ↓
Mid Mid (pH 6-8) 2.31 9 -23.82 1 6 0 78 385.439 4 ↓

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Rings

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

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