UCSF

ZINC08904784

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 32 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-5-(3-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[(4-allyloxyphenyl)-hydroxy-me…

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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) 2.00 8.83 -63.48 0 7 -1 95 426.452 8 ↓
Mid Mid (pH 6-8) 2.45 8.48 -17.7 1 7 0 93 427.46 7 ↓
Lo Low (pH 4.5-6) 2.45 8.76 -38.7 2 7 1 94 428.468 7 ↓
Lo Low (pH 4.5-6) 2.45 8.78 -51.79 2 7 1 94 428.468 7 ↓
Lo Low (pH 4.5-6) 2.45 9.06 -105.87 3 7 2 95 429.476 7 ↓

Activity (Go SEA)

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