UCSF

ZINC62977197

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 33 No

Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-7-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4- (2E)-2-[[4-(diethylamino)phenyl]…

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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) 5.79 13.85 -75.09 3 5 0 59 450.623 6 ↓
Hi High (pH 8-9.5) 5.79 14.27 -28.18 1 5 0 61 448.607 6 ↓
Mid Mid (pH 6-8) 5.79 14.41 -55.6 2 5 0 62 449.615 6 ↓
Mid Mid (pH 6-8) 5.79 13.71 -39.56 2 5 1 58 449.615 6 ↓

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

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