UCSF

ZINC04312093

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 28 No

Popular Name: 5-(3-chlorophenyl)-1-(2-dimethylaminoethyl)-4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-pyrroli 5-(3-chlorophenyl)-1-(2-dimethyl…

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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) 2.17 8.8 -71 1 6 0 78 419.934 6 ↓
Hi High (pH 8-9.5) 2.17 6.27 -58.66 0 6 -1 77 418.926 6 ↓
Mid Mid (pH 6-8) 2.17 -0.61 -42.89 2 6 1 74 420.942 6 ↓
Mid Mid (pH 6-8) 1.58 -0.82 -46.93 1 6 1 71 420.942 6 ↓

Activity (Go SEA)

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