UCSF

ZINC49544793

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 No

Popular Name: (4S)-4-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]-1-methyl-5,7-dihydro-4H-pyrazolo[3 (4S)-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) -0.16 0.19 -23.06 1 8 0 102 363.443 2 ↓
Ref Reference (pH 7) -0.35 2.91 -24.23 1 8 0 99 363.443 2 ↓
Lo Low (pH 4.5-6) -0.16 0.31 -48.7 2 8 1 104 364.451 2 ↓
Lo Low (pH 4.5-6) -0.35 3.04 -49.57 2 8 1 100 364.451 2 ↓

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

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