UCSF

ZINC65491704

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 Yes

Popular Name: (3aR,6aR)-5-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2,3,3a,4,6-hexahydropyrrolo[3,4-c]pyrro (3aR,6aR)-5-cyclopentyl-N-[2-(2-…

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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) 0.90 5.93 -86.71 4 6 2 65 333.48 5 ↓
Hi High (pH 8-9.5) 0.90 3.01 -15.71 2 6 0 62 331.464 5 ↓
Hi High (pH 8-9.5) 0.90 4.46 -58.85 3 6 1 67 332.472 5 ↓
Mid Mid (pH 6-8) 0.90 5.46 -51.8 3 6 1 63 332.472 5 ↓
Lo Low (pH 4.5-6) 0.90 4.93 -94.59 4 6 2 68 333.48 5 ↓
Lo Low (pH 4.5-6) 0.90 7.38 -177.42 5 6 3 69 334.488 5 ↓

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

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