UCSF

ZINC23360775

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 Yes

Popular Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one 4-[[(3S)-3-(2-hydroxyethyl)-4-is…

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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) 1.32 5.91 -38.16 2 6 1 55 373.521 6 ↓
Mid Mid (pH 6-8) 1.32 3.77 -18.65 1 6 0 54 372.513 6 ↓

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

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