UCSF

ZINC62527111

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 25 Yes

Popular Name: 1-[(3S,7aR)-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazol-2-yl]-4-(3-pyridyl)butan-1-one 1-[(3S,7aR)-3-phenyl-1,3,5,6,7,7…

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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) 2.87 11.04 -44.16 1 4 1 38 336.459 5 ↓
Hi High (pH 8-9.5) 2.87 8.71 -13.4 0 4 0 36 335.451 5 ↓
Lo Low (pH 4.5-6) 2.87 11.51 -81.2 2 4 2 39 337.467 5 ↓

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

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