UCSF

ZINC38573975

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 No

Popular Name: (4R,7aS)-6-amino-3-methyl-4-(o-tolyl)-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (4R,7aS)-6-amino-3-methyl-4-(o-t…

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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) 2.17 0.47 -7.02 2 5 0 84 266.304 1 ↓
Lo Low (pH 4.5-6) 2.17 0.85 -46.06 3 5 1 85 267.312 1 ↓

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

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