UCSF

ZINC62977201

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 32 No

Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-7-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-be (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) 5.41 13.21 -78.85 3 5 0 59 436.596 6 ↓
Hi High (pH 8-9.5) 5.41 13.66 -27.97 1 5 0 61 434.58 6 ↓
Mid Mid (pH 6-8) 5.41 13.79 -56.6 2 5 0 62 435.588 6 ↓
Mid Mid (pH 6-8) 5.41 13.09 -39.94 2 5 1 58 435.588 6 ↓

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

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