UCSF

ZINC65528604

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: (3aS,6aS)-2-methyl-5-(2-morpholinopyridine-3-carbonyl)-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole- (3aS,6aS)-2-methyl-5-(2-morpholi…

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Download: MOL2 SDF SMILES Flexibase

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) -0.66 7.21 -48.7 1 8 0 90 360.414 3 ↓
Hi High (pH 8-9.5) -0.66 4.51 -53.09 0 8 -1 89 359.406 3 ↓
Lo Low (pH 4.5-6) -0.66 7.63 -89.32 2 8 1 91 361.422 3 ↓

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

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