UCSF

ZINC16099997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 18 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) 3.96 5.55 -9.38 1 3 0 46 302.182 3
Hi High (pH 8-9.5) 3.96 5.64 -42.56 0 3 -1 48 301.174 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1996001825A1 IBM Patent Data

Activity (Go SEA)

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