UCSF

ZINC04248574

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 31 No

Popular Name: 4-[3-(2-furyl)prop-2-enoyl]-3-hydroxy-5-(3-methoxyphenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 4-[3-(2-furyl)prop-2-enoyl]-3-hy…

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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) 2.02 9.35 -63.14 0 7 -1 96 415.425 7 ↓
Mid Mid (pH 6-8) 2.02 1.01 -23.85 1 7 0 92 416.433 6 ↓
Mid Mid (pH 6-8) 2.02 0.75 -32.98 1 7 0 92 416.433 6 ↓
Mid Mid (pH 6-8) 1.44 0.82 -23.69 0 7 0 89 416.433 7 ↓
Lo Low (pH 4.5-6) 2.02 1.12 -45.64 2 7 1 94 417.441 6 ↓
Lo Low (pH 4.5-6) 2.02 0.87 -55.52 2 7 1 94 417.441 6 ↓

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