UCSF

ZINC17996113

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Substance Information

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

Popular Name: (4Z,5S)-5-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene] (4Z,5S)-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 8.86 -67.54 1 6 0 78 419.934 6 ↓
Hi High (pH 8-9.5) 2.19 6.32 -55.26 0 6 -1 77 418.926 6 ↓
Mid Mid (pH 6-8) 2.64 8.77 -57.13 2 6 1 75 420.942 5 ↓
Mid Mid (pH 6-8) 1.61 9.98 -58.25 1 6 1 72 420.942 6 ↓

Activity (Go SEA)

Rings

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