UCSF

ZINC60021685

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 Yes

Popular Name: 2-[[(2R)-2-[4-(4-aminophenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2R)-2-[4-(4-aminophenyl)pip…

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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) 1.59 4.87 -34.6 6 6 1 89 354.478 6 ↓
Mid Mid (pH 6-8) 1.59 2.88 -9.17 5 6 0 88 353.47 6 ↓
Lo Low (pH 4.5-6) 1.59 4.74 -85.85 7 6 2 90 355.486 6 ↓
Lo Low (pH 4.5-6) 1.59 5.53 -104.28 7 6 2 90 355.486 6 ↓

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

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