UCSF

ZINC59778523

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 17 No

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) 3.92 9.97 -50.16 0 2 -1 40 233.331 2
Lo Low (pH 4.5-6) 3.92 7.98 -5.37 1 2 0 37 234.339 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0932409A1; WO1997039355A1; WO1998013054A1; WO1998028978A1; WO1999021006A1; WO2000035467A1; WO2000057894A1 IBM Patent Data

Activity (Go SEA)

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