UCSF

ZINC15265576

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2008 22 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) -0.86 -3.02 -22.59 4 10 0 137 311.298 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0238672A1; EP0311694A1; EP0311694B1; EP0728520A1; US4665018; US4900407; US4929544; US5144018; US5476931; WO1993014465A1; WO2000008140A2; WO2000008141A2; WO2000027340A2; WO2000056762A2 IBM Patent Data

Activity (Go SEA)

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