UCSF

ZINC49544890

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 26 No

Popular Name: (4R)-4-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]-1-methyl-4,8-dihydropyrazolo[3,4-e (4R)-4-[1-[(3S)-1,1-dioxothiolan…

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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) 0.08 1.45 -20.85 1 8 0 102 395.51 2 ↓
Ref Reference (pH 7) -0.10 3.81 -21.35 1 8 0 99 395.51 2 ↓
Lo Low (pH 4.5-6) 0.08 1.57 -48.29 2 8 1 104 396.518 2 ↓
Lo Low (pH 4.5-6) -0.10 3.93 -51.7 2 8 1 100 396.518 2 ↓

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

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