UCSF

ZINC09339550

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 32 No

Popular Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-5-(2,4-dichlorophenyl)-1-(2-morpholinoethyl)pyrrolidine-2,3-d 4-[(4-chlorophenyl)-hydroxy-meth…

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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) 4.22 8.4 -49.45 0 6 -1 73 494.782 6 ↓
Mid Mid (pH 6-8) 3.63 -1.35 -48.31 1 6 1 68 496.798 6 ↓
Mid Mid (pH 6-8) 4.22 10.46 -45.9 2 6 1 71 496.798 6 ↓
Mid Mid (pH 6-8) 4.22 10.74 -66.18 1 6 0 74 495.79 6 ↓

Activity (Go SEA)

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