UCSF

ZINC00811052

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 26 No

Popular Name: (3aR,6aR)-1-acetyl-5-(3,5-dimethylphenyl)-4,6-diketo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxyli (3aR,6aR)-1-acetyl-5-(3,5-dimeth…

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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) 1.13 8.23 -11.25 0 8 0 96 357.366 4 ↓
Ref Reference (pH 7) 1.13 8.23 -11.32 0 8 0 96 357.366 4 ↓
Ref Reference (pH 7) 1.13 7.91 -14.6 0 8 0 96 357.366 4 ↓
Ref Reference (pH 7) 1.13 7.91 -14.74 0 8 0 96 357.366 4 ↓

Activity (Go SEA)

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