UCSF

ZINC06176907

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2006 33 No

Popular Name: 5-(4-hydroxy-3-methoxy-phenyl)-4-[hydroxy-(3-methoxyphenyl)-methylene]-1-(4-pyridylmethyl)pyrrolidin 5-(4-hydroxy-3-methoxy-phenyl)-4…

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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) 1.86 6.41 -63.76 1 8 -1 112 445.451 7 ↓
Mid Mid (pH 6-8) 1.86 5.53 -19.31 2 8 0 109 446.459 7 ↓
Mid Mid (pH 6-8) 1.27 6.22 -30.42 1 8 0 106 446.459 7 ↓
Lo Low (pH 4.5-6) 1.86 5.83 -44.55 3 8 1 110 447.467 7 ↓
Lo Low (pH 4.5-6) 1.27 6.52 -56.16 2 8 1 107 447.467 7 ↓

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