UCSF

ZINC63958987

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 25 No

Popular Name: 2-[(4R)-2-methyl-3,4-dihydropyrazol-4-yl]-N-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]thiazole-4-carboxam 2-[(4R)-2-methyl-3,4-dihydropyra…

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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) 0.18 4.84 -58.14 1 9 -1 110 353.391 4 ↓
Mid Mid (pH 6-8) 0.24 3.32 -62.03 1 9 -1 118 353.391 4 ↓
Mid Mid (pH 6-8) 0.18 5 -13.44 2 9 0 112 354.399 4 ↓

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

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