UCSF

ZINC06090197

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 34 No

Popular Name: 5-(4-ethoxy-3-methoxy-phenyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)pyrrolidine- 5-(4-ethoxy-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) 2.73 9.16 -58.44 0 7 -1 92 461.469 8 ↓
Mid Mid (pH 6-8) 2.73 1.13 -15.81 1 7 0 88 462.477 8 ↓
Lo Low (pH 4.5-6) 2.14 1.01 -16 0 7 0 85 462.477 8 ↓
Lo Low (pH 4.5-6) 2.73 1.24 -44.8 2 7 1 90 463.485 8 ↓

Activity (Go SEA)

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