UCSF

ZINC62317359

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 30 Yes

Popular Name: [(3S)-4-methyl-3-phenyl-piperazin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone [(3S)-4-methyl-3-phenyl-piperazi…

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Vendors

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) 2.40 12.07 -22.53 0 7 0 67 398.47 3 ↓
Mid Mid (pH 6-8) 2.40 14.08 -62.35 1 7 1 68 399.478 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.