UCSF

ZINC08818015

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 36 No

Popular Name: 4-[(4-benzyloxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-phenyl-pyrrolidine-2 4-[(4-benzyloxy-3-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 14.62 -80.78 1 6 0 74 484.596 10 ↓
Mid Mid (pH 6-8) 5.15 14.3 -46.51 2 6 1 71 485.604 9 ↓
Mid Mid (pH 6-8) 4.12 14.98 -47.34 1 6 1 68 485.604 10 ↓

Activity (Go SEA)

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