UCSF

ZINC60022195

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 25 Yes

Popular Name: 5-amino-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoic 5-amino-2-[2-(4-phenylpiperazin-…

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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) 2.51 8.01 -65.35 4 6 0 86 340.427 6 ↓
Mid Mid (pH 6-8) 2.51 5.8 -50.19 3 6 -1 85 339.419 6 ↓
Mid Mid (pH 6-8) 2.51 6.12 -38.89 4 6 0 89 340.427 6 ↓
Lo Low (pH 4.5-6) 2.51 7.87 -95.36 5 6 1 87 341.435 6 ↓

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Rings

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