UCSF

ZINC41584594

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2Z)-6-hydroxy-4-methyl-2-[(3-methyl-2-thienyl)methylene]-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl] (2Z)-6-hydroxy-4-methyl-2-[(3-me…

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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) 4.84 11.43 -38.26 2 5 1 68 447.58 4 ↓
Hi High (pH 8-9.5) 4.84 10.15 -47.63 0 5 -1 69 445.564 4 ↓
Mid Mid (pH 6-8) 4.84 9.38 -8.96 1 5 0 67 446.572 4 ↓
Mid Mid (pH 6-8) 4.84 12.2 -33.27 1 5 0 71 446.572 4 ↓

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

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