UCSF

ZINC05408983

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 29 No

Popular Name: 5-(4-hydroxy-3-methoxy-phenyl)-1-(2-hydroxypropyl)-4-[hydroxy-(p-tolyl)methylene]-pyrrolidine-2,3-di 5-(4-hydroxy-3-methoxy-phenyl)-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) 1.90 3.79 -68.26 2 7 -1 110 396.419 6 ↓
Mid Mid (pH 6-8) 2.34 -3.42 -19.84 3 7 0 107 397.427 5 ↓
Mid Mid (pH 6-8) 1.31 -3.35 -24.45 2 7 0 104 397.427 6 ↓
Lo Low (pH 4.5-6) 1.90 2.96 -20.22 3 7 0 107 397.427 6 ↓

Activity (Go SEA)

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