UCSF

ZINC08830751

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 21 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) -2.37 -6.99 -23.05 7 11 0 179 299.243 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4950665; US5552285 IBM Patent Data

Activity (Go SEA)

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