UCSF

ZINC65527564

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Popular Name: (3aR,6aR)-5-cyclopentyl-N-[2-(methylsulfamoyl)ethyl]-1,2,3,3a,4,6-hexahydropyrrolo[3,4-c]pyrrole-6a- (3aR,6aR)-5-cyclopentyl-N-[2-(me…

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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) 0.29 -0.74 -54.99 4 7 1 92 345.489 6 ↓
Hi High (pH 8-9.5) 0.29 -1.73 -61.43 4 7 1 95 345.489 6 ↓
Hi High (pH 8-9.5) 0.29 -3.18 -19.88 3 7 0 91 344.481 6 ↓
Lo Low (pH 4.5-6) 0.29 0.71 -130.4 5 7 2 96 346.497 6 ↓

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Rings

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

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