UCSF

ZINC08897705

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 36 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(3-pyridyl)pyrrolidine-2,3 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) 3.16 8.51 -61.16 0 8 -1 95 492.596 11 ↓
Mid Mid (pH 6-8) 2.58 11.19 -51.07 1 8 1 90 494.612 11 ↓
Mid Mid (pH 6-8) 3.16 10.79 -46.9 2 8 1 93 494.612 11 ↓
Mid Mid (pH 6-8) 3.16 10.85 -81.09 1 8 0 96 493.604 11 ↓
Lo Low (pH 4.5-6) 2.58 11.48 -105.19 2 8 2 91 495.62 11 ↓
Lo Low (pH 4.5-6) 3.16 11.08 -97 3 8 2 95 495.62 11 ↓

Activity (Go SEA)

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