UCSF

ZINC05140058

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 28 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) 1.60 3.9 -14.27 2 7 0 102 378.384 2
Lo Low (pH 4.5-6) 1.60 4.15 -40.66 3 7 1 103 379.392 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0056692A1; EP0074256A1; EP0074770A1; EP0137145A1; EP0885230A1; EP0929570A1; EP1003516A1; EP1044977A1; US4399276; US4399282; US4473692; US4513138; US4545880; US4604463; US5677286; US5932709; US6130227; US6156754; USRE32518; WO1996034003A1; WO1997031003A1 IBM Patent Data

Activity (Go SEA)

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