UCSF

ZINC16875600

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 29 No

Popular Name: 3-[[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-3-azaspiro 3-[[[1-[(3S)-1,1-dioxothiolan-3-…

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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) 0.36 4.38 -21.19 0 8 0 93 422.551 5 ↓
Lo Low (pH 4.5-6) 0.36 7.07 -113.65 2 8 2 95 424.567 5 ↓
Lo Low (pH 4.5-6) 0.36 4.49 -46.2 1 8 1 94 423.559 5 ↓

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

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