UCSF

ZINC53925408

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 Yes

Popular Name: (2S)-2-[(4-benzylpiperazin-1-yl)methyl]cyclopentanone (2S)-2-[(4-benzylpiperazin-1-yl)…

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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 8.4 -34.04 1 3 1 25 273.4 4 ↓
Mid Mid (pH 6-8) 2.08 6.32 -6.33 0 3 0 24 272.392 4 ↓
Mid Mid (pH 6-8) 2.08 8.58 -34.99 1 3 1 25 273.4 4 ↓

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Rings

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

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