UCSF

ZINC04343529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 24 Yes

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) -0.82 0.29 -22.7 4 10 0 142 337.336 4
Mid Mid (pH 6-8) -0.36 -1.55 -68.87 3 10 -1 145 336.328 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0215942A1; EP0215942B1; EP0216860A1; EP0216860B1; EP0639582A2; EP0639582A3; EP0639582B1; EP0640091A1; EP0754242A1; EP0771204A1; US5142047; US5217866; US5470974; US5591607; US5599922; US5631135; US5726297; US5837835; US5965720; US6022963; US6147205; WO19 IBM Patent Data

Activity (Go SEA)

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