UCSF

ZINC64541706

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 22 No

Popular Name: (3aS,4S)-4-(4-ethylphenyl)-3-(2-furyl)-4,5-dihydro-3aH-pyrrolo[3,4-c]pyrazol-6-one (3aS,4S)-4-(4-ethylphenyl)-3-(2-…

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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) 2.71 5.62 -12.01 1 5 0 67 293.326 3 ↓
Hi High (pH 8-9.5) 2.89 3.11 -51.81 0 5 -1 73 292.318 3 ↓

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

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