UCSF

ZINC53314066

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 30 Yes

Popular Name: 2-(4-phenylpiperazin-1-yl)-N-[(4-phenyl-2-propyl-oxazol-5-yl)methyl]ethanamine 2-(4-phenylpiperazin-1-yl)-N-[(4…

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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) 4.61 8.76 -46.96 2 5 1 49 405.566 9 ↓
Hi High (pH 8-9.5) 4.61 7.37 -8.14 1 5 0 45 404.558 9 ↓
Lo Low (pH 4.5-6) 4.61 10.96 -132.21 3 5 2 50 406.574 9 ↓

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

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