UCSF

ZINC62977212

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 36 No

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzo (2Z)-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) 5.04 13.54 -100.89 3 6 0 72 485.628 7 ↓
Hi High (pH 8-9.5) 5.04 12.12 -49.07 0 6 -1 73 482.604 7 ↓
Hi High (pH 8-9.5) 5.04 11.36 -9.79 1 6 0 70 483.612 7 ↓
Hi High (pH 8-9.5) 5.04 14.17 -35.28 1 6 0 74 483.612 7 ↓
Mid Mid (pH 6-8) 5.04 13.41 -40.24 2 6 1 71 484.62 7 ↓
Mid Mid (pH 6-8) 5.04 14.31 -82.14 2 6 0 75 484.62 7 ↓

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

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