UCSF

ZINC55104161

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 No

Popular Name: (3E)-6-methyl-3-[1-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]ethylidene]pyran-2,4-dione (3E)-6-methyl-3-[1-[4-[(2R)-2-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) 2.96 8.33 -48 0 6 -1 86 367.425 3 ↓
Mid Mid (pH 6-8) 2.96 8.29 -46.36 0 6 -1 86 367.425 3 ↓
Lo Low (pH 4.5-6) 2.96 7.56 -21.98 1 6 0 83 368.433 3 ↓
Lo Low (pH 4.5-6) 2.96 7.52 -22.08 1 6 0 83 368.433 3 ↓

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

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