UCSF

ZINC24108039

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 33 Yes

Popular Name: (2R)-2-[[4-(4-fluorophenyl)-5-[(1S)-1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl- (2R)-2-[[4-(4-fluorophenyl)-5-[(…

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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) 3.68 14.91 -38.37 1 6 1 55 468.622 7 ↓
Hi High (pH 8-9.5) 3.68 12.67 -14.88 0 6 0 54 467.614 7 ↓

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