UCSF

ZINC65492037

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 28 Yes

Popular Name: 4-[4-[(3aS,4S,6S,6aR)-6-(hydroxymethyl)-2-methyl-6-phenyl-1,3,3a,4,5,6a-hexahydropyrrolo[3,4-c]pyrro 4-[4-[(3aS,4S,6S,6aR)-6-(hydroxy…

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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) 3.03 6.13 -43.92 4 4 1 57 377.508 4 ↓
Hi High (pH 8-9.5) 3.03 3.51 -7.23 3 4 0 56 376.5 4 ↓

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

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