UCSF

ZINC60021681

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-hydroxy-2-[[(2R)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide 3-hydroxy-2-[[(2R)-2-(4-phenylpi…

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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) 2.25 4.93 -37.07 5 6 1 83 355.462 6 ↓
Mid Mid (pH 6-8) 2.25 2.55 -9.32 4 6 0 82 354.454 6 ↓

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

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