UCSF

ZINC67796698

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 16 Yes

Popular Name: 1-[(4-chloro-2-fluoro-phenyl)methyl]-1,4-diazepane 1-[(4-chloro-2-fluoro-phenyl)met…

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Download: MOL2 SDF SMILES Flexibase

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) 2.08 5.83 -33.36 2 2 1 16 243.733 2 ↓
Hi High (pH 8-9.5) 2.08 5.06 -38.44 2 2 1 20 243.733 2 ↓
Lo Low (pH 4.5-6) 2.08 7.12 -113.38 3 2 2 21 244.741 2 ↓

Activity (Go SEA)

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