UCSF

ZINC65509337

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 26 Yes

Popular Name: (3aS,6aS)-5-benzyl-2-[(3,5-dimethylisoxazol-4-yl)methyl]-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol (3aS,6aS)-5-benzyl-2-[(3,5-dimet…

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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) 1.44 8.52 -57.16 1 6 0 74 355.438 5 ↓
Hi High (pH 8-9.5) 1.44 6 -54.73 0 6 -1 73 354.43 5 ↓
Mid Mid (pH 6-8) 1.44 8.48 -58.91 1 6 0 74 355.438 5 ↓
Lo Low (pH 4.5-6) 1.44 11 -97.47 2 6 1 75 356.446 5 ↓

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Rings

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

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