UCSF

ZINC65508442

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 23 No

Popular Name: (3aS,6aS)-2-cyclopentyl-5-(1,4-dithiepan-6-yl)-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carbo (3aS,6aS)-2-cyclopentyl-5-(1,4-d…

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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) 2.08 8.82 -46.53 1 4 0 48 356.557 3 ↓
Hi High (pH 8-9.5) 2.08 6.38 -46.87 0 4 -1 47 355.549 3 ↓
Lo Low (pH 4.5-6) 2.08 11.36 -80.69 2 4 1 49 357.565 3 ↓

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

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