UCSF

ZINC39500131

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 26 No

Popular Name: N-[(3R)-3,5-dimethyl-3H-pyrazol-4-yl]-5-[[4-(2-pyridyl)piperazin-1-yl]methyl]thiazol-2-amine N-[(3R)-3,5-dimethyl-3H-pyrazol-…

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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) 2.47 6.61 -35.39 3 7 1 74 370.506 5 ↓
Mid Mid (pH 6-8) 2.47 6.28 -11.08 2 7 0 73 369.498 5 ↓
Mid Mid (pH 6-8) 2.76 5.87 -35.89 2 7 1 70 370.506 5 ↓
Mid Mid (pH 6-8) 2.76 7.79 -50.59 2 7 1 70 370.506 5 ↓
Lo Low (pH 4.5-6) 2.76 8.1 -107.41 3 7 2 71 371.514 5 ↓

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

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