UCSF

ZINC62527077

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 27 Yes

Popular Name: 1-[(3R,7aR)-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazol-2-yl]-4-(2-fluorophenyl)butane-1,4 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) 3.32 11.82 -41.43 1 4 1 42 367.444 5 ↓
Mid Mid (pH 6-8) 3.32 9.18 -11.6 0 4 0 41 366.436 5 ↓

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

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