UCSF

ZINC08837641

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 No

Popular Name: 4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-pyridylmethyl)-5-(2-thienyl)pyrrolidine-2,3-d 4-[hydroxy-(4-methoxy-3-methyl-p…

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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) 2.87 8.03 -63 0 6 -1 83 419.482 6 ↓
Mid Mid (pH 6-8) 2.29 -1.13 -13.67 0 6 0 76 420.49 6 ↓
Lo Low (pH 4.5-6) 3.32 -0.72 -47.14 2 6 1 80 421.498 5 ↓
Lo Low (pH 4.5-6) 2.29 -1.02 -41.79 1 6 1 77 421.498 6 ↓
Lo Low (pH 4.5-6) 2.87 7.21 -18.98 1 6 0 80 420.49 6 ↓

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