UCSF

ZINC09174672

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 36 No

Popular Name: 4-[(4-benzyloxy-2-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-phenyl-pyrrolidine-2 4-[(4-benzyloxy-2-methyl-phenyl)…

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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) 4.71 14.88 -75.01 1 6 0 74 484.596 10 ↓
Mid Mid (pH 6-8) 4.12 1.88 -46.83 1 6 1 68 485.604 10 ↓
Mid Mid (pH 6-8) 4.71 14.2 -44.44 2 6 1 71 485.604 10 ↓

Activity (Go SEA)

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