UCSF

ZINC25505683

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 Yes

Popular Name: 1-[(1S)-1-(4-benzylpiperazine-1-carbonyl)-2-methyl-propyl]-3-phenyl-urea 1-[(1S)-1-(4-benzylpiperazine-1-…

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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) 3.20 7.05 -10.07 2 6 0 65 394.519 6 ↓
Mid Mid (pH 6-8) 3.20 9.37 -50.64 3 6 1 66 395.527 6 ↓

Activity (Go SEA)

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