UCSF

ZINC39543781

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 Yes

Popular Name: 4-[[(3R)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-1-yl]methyl]-2,6-dimethyl-phenol 4-[[(3R)-3-(2-hydroxyethyl)-4-(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) 2.89 3.95 -35.18 3 5 1 51 390.592 6 ↓
Mid Mid (pH 6-8) 2.89 3.85 -36.05 3 5 1 51 390.592 6 ↓
Lo Low (pH 4.5-6) 2.89 6.22 -90.62 4 5 2 53 391.6 6 ↓
Lo Low (pH 4.5-6) 2.89 6.04 -101.9 4 5 2 53 391.6 6 ↓

Activity (Go SEA)

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