UCSF

ZINC19607369

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 28 Yes

Popular Name: [2-[(4-benzylpiperazin-1-yl)methyl]oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone [2-[(4-benzylpiperazin-1-yl)meth…

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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) 0.99 5.7 -50.25 2 7 1 74 385.488 6 ↓
Mid Mid (pH 6-8) 0.99 5.64 -48.38 2 7 1 74 385.488 6 ↓
Mid Mid (pH 6-8) 0.99 3.32 -12.53 1 7 0 73 384.48 6 ↓

Activity (Go SEA)

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