UCSF

ZINC62527016

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 21 Yes

Popular Name: (3S,7aS)-N-isopropyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazole-2-sulfonamide (3S,7aS)-N-isopropyl-3-phenyl-1,…

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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) 2.00 4.85 -43.04 2 5 1 54 310.443 4 ↓
Hi High (pH 8-9.5) 2.00 4.69 -43.3 1 5 0 56 309.435 4 ↓
Mid Mid (pH 6-8) 2.00 2.16 -9.55 1 5 0 53 309.435 4 ↓

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

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