UCSF

ZINC65491481

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 Yes

Popular Name: [(3aR,6aR)-2-methyl-1,3,3a,4,5,6-hexahydropyrrolo[3,4-c]pyrrol-6a-yl]-[4-[(5-cyclopropyl-1,2,4-oxadi [(3aR,6aR)-2-methyl-1,3,3a,4,5,6…

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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) 0.67 2.95 -54.49 2 7 1 79 360.482 4 ↓
Hi High (pH 8-9.5) 0.67 4.2 -48.8 2 7 1 76 360.482 4 ↓
Lo Low (pH 4.5-6) 0.67 5.64 -121.17 3 7 2 80 361.49 4 ↓

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

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