UCSF

ZINC18037460

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 28 No

Popular Name: (4E,5R)-5-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene] (4E,5R)-5-(4-chlorophenyl)-1-(2-…

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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) 2.19 8.82 -67.74 1 6 0 78 419.934 6 ↓
Hi High (pH 8-9.5) 2.19 6.28 -55.49 0 6 -1 77 418.926 6 ↓
Mid Mid (pH 6-8) 2.19 8.91 -46.51 2 6 1 75 420.942 6 ↓
Mid Mid (pH 6-8) 1.61 9.38 -50.68 1 6 1 72 420.942 6 ↓

Activity (Go SEA)

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