UCSF

ZINC13681803

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 No

Popular Name: (4E)-2-(4-methoxyphenyl)-5-methyl-4-[1-(2-pyridylamino)ethylidene]pyrazol-3-one (4E)-2-(4-methoxyphenyl)-5-methy…

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Download: MOL2 SDF SMILES Flexibase

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) 2.85 4.85 -14.02 1 6 0 73 322.368 4 ↓
Mid Mid (pH 6-8) 2.85 6.04 -11.6 1 6 0 73 322.368 4 ↓
Lo Low (pH 4.5-6) 2.33 7.79 -47.97 2 6 1 70 323.376 4 ↓

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

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