UCSF

ZINC09008744

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 28 No

Popular Name: 5-(4-bromophenyl)-1-(2-dimethylaminoethyl)-4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-pyrrolid 5-(4-bromophenyl)-1-(2-dimethyla…

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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) 2.32 8.93 -67.57 1 6 0 78 464.385 6 ↓
Hi High (pH 8-9.5) 2.32 6.38 -55.34 0 6 -1 77 463.377 6 ↓
Mid Mid (pH 6-8) 1.74 9.49 -50.27 1 6 1 72 465.393 6 ↓
Mid Mid (pH 6-8) 2.77 9.17 -46.33 2 6 1 75 465.393 5 ↓

Activity (Go SEA)

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