UCSF

ZINC79632115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2012 20 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) -2.52 -4.67 -67.06 6 8 1 124 285.324 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5405950 IBM Patent Data

Activity (Go SEA)

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