UCSF

ZINC41316766

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 27 Yes

Popular Name: 1-[(3R,7aR)-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazol-2-yl]-5-phenyl-pentane-1,5-dione 1-[(3R,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) 3.71 12.51 -49.43 1 4 1 42 363.481 6 ↓
Hi High (pH 8-9.5) 3.71 9.89 -18.93 0 4 0 41 362.473 6 ↓

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

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