UCSF

ZINC65494500

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: (3aR,6aR)-5-acetyl-2-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3,3a,4,6-tetrahydro-1H-pyrrolo[ (3aR,6aR)-5-acetyl-2-[(1-isoprop…

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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) 0.10 8.3 -62.61 1 7 0 83 348.447 4 ↓
Hi High (pH 8-9.5) 0.10 5.84 -61.41 0 7 -1 82 347.439 4 ↓

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

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