UCSF

ZINC62527023

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 23 Yes

Popular Name: (3R,7aR)-N-cyclopentyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazole-2-sulfonamide (3R,7aR)-N-cyclopentyl-3-phenyl-…

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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) 2.73 5.97 -41.39 2 5 1 54 336.481 4 ↓
Hi High (pH 8-9.5) 2.73 6.25 -41.51 1 5 0 56 335.473 4 ↓
Mid Mid (pH 6-8) 2.73 3.33 -8.69 1 5 0 53 335.473 4 ↓

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

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