UCSF

ZINC08904986

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

Popular Name: 5-[3-(allyloxy)phenyl]-4-(4-chlorobenzoyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-4-(4-chlo…

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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) 3.90 11.07 -53.89 0 6 -1 83 459.909 8 ↓
Mid Mid (pH 6-8) 3.31 10.5 -12.27 0 6 0 77 460.917 8 ↓
Mid Mid (pH 6-8) 4.34 10.25 -20.45 1 6 0 80 460.917 7 ↓
Lo Low (pH 4.5-6) 3.31 10.78 -44.37 1 6 1 78 461.925 8 ↓
Lo Low (pH 4.5-6) 4.34 10.53 -44.52 2 6 1 81 461.925 7 ↓

Activity (Go SEA)

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