UCSF

ZINC49588176

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 15 Yes

Other Names:

MFCD00076903

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) 0.52 4.65 -58.52 3 5 0 94 217.265 7
Mid Mid (pH 6-8) 0.52 4.33 -45.17 2 5 -1 92 216.257 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0271041A2; EP0990047A2; US4198398; US6027890; USRE30731; WO1992002542A1; WO1995023811A1; WO1999005319A2 IBM Patent Data

Activity (Go SEA)

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