UCSF

ZINC09312559

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 29 No

Popular Name: 5-(3,4-dichlorophenyl)-4-(hydroxy-phenyl-methylene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-pyrrolidine-2 5-(3,4-dichlorophenyl)-4-(hydrox…

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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) 3.79 10.03 -50.07 0 6 -1 86 445.307 4 ↓
Mid Mid (pH 6-8) 3.21 -0.3 -12.06 0 6 0 80 446.315 4 ↓
Lo Low (pH 4.5-6) 3.79 9.21 -14.58 1 6 0 83 446.315 4 ↓

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