UCSF

ZINC08897563

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 32 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(3-pyridyl)pyrrolidine-2 4-[(4-butoxy-3-methyl-phenyl)-hy…

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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) 3.04 10.61 -76.12 1 7 0 87 437.54 10 ↓
Hi High (pH 8-9.5) 3.04 8.08 -59.78 0 7 -1 86 436.532 10 ↓
Mid Mid (pH 6-8) 2.46 10.29 -45.67 1 7 1 81 438.548 10 ↓
Mid Mid (pH 6-8) 3.04 9.95 -42.96 2 7 1 84 438.548 10 ↓
Lo Low (pH 4.5-6) 3.04 10.24 -104.71 3 7 2 85 439.556 10 ↓
Lo Low (pH 4.5-6) 2.46 10.57 -113.17 2 7 2 82 439.556 10 ↓

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