UCSF

ZINC38635290

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 19 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) 1.92 4 -7.6 2 3 0 50 258.317 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1054994A2; US6121029; WO1999042602A2; WO1999066028A2 IBM Patent Data

Activity (Go SEA)

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