UCSF

ZINC08996512

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 32 No

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

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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) 2.05 7.94 -60.5 0 7 -1 95 428.468 7 ↓
Mid Mid (pH 6-8) 2.49 8.34 -12.33 1 7 0 93 429.476 6 ↓
Lo Low (pH 4.5-6) 2.49 8.62 -46.11 2 7 1 94 430.484 6 ↓
Lo Low (pH 4.5-6) 2.49 8.64 -57.26 2 7 1 94 430.484 6 ↓
Lo Low (pH 4.5-6) 2.49 8.92 -109.48 3 7 2 95 431.492 6 ↓

Activity (Go SEA)

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