UCSF

ZINC62526822

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 29 No

Popular Name: 3-[(E)-3-[(3S,7aR)-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazol-2-yl]-3-oxo-prop-1-enyl]-1H 3-[(E)-3-[(3S,7aR)-3-phenyl-1,3,…

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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) 2.84 10.9 -37.13 2 5 1 58 386.475 3 ↓
Mid Mid (pH 6-8) 2.84 8.58 -13.78 1 5 0 56 385.467 3 ↓

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

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