UCSF

ZINC20206135

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 28 Yes

Popular Name: azepan-1-yl-[2-[(4-benzylpiperazin-1-yl)methyl]oxazol-4-yl]methanone azepan-1-yl-[2-[(4-benzylpiperaz…

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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) 2.65 8.79 -47.92 1 6 1 54 383.516 5 ↓
Mid Mid (pH 6-8) 2.65 8.74 -44.53 1 6 1 54 383.516 5 ↓
Mid Mid (pH 6-8) 2.65 6.41 -8.43 0 6 0 53 382.508 5 ↓

Activity (Go SEA)

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