UCSF

ZINC19226954

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 31 Yes

Popular Name: [2-[(4-benzylpiperazin-1-yl)methyl]oxazol-4-yl]-[(3R)-3-diethylaminopyrrolidin-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) 2.14 8.9 -91.93 2 7 2 58 427.593 8 ↓
Hi High (pH 8-9.5) 2.14 4.28 -8.32 0 7 0 56 425.577 8 ↓
Mid Mid (pH 6-8) 2.14 8.83 -89.9 2 7 2 58 427.593 8 ↓
Mid Mid (pH 6-8) 2.14 6.52 -40.42 1 7 1 57 426.585 8 ↓

Activity (Go SEA)

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