UCSF

ZINC41316775

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 29 Yes

Popular Name: 3-[3-[(3R,7aR)-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazol-2-yl]-3-oxo-propyl]-1H-quinolin 3-[3-[(3R,7aR)-3-phenyl-1,3,5,6,…

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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) 2.99 10.97 -44.33 2 5 1 58 388.491 4 ↓
Hi High (pH 8-9.5) 2.99 8.35 -15.35 1 5 0 56 387.483 4 ↓

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

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