UCSF

ZINC59771276

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 16 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) -0.06 4.47 -104.65 1 6 -2 109 229.232 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4939261; US5096925 IBM Patent Data

Activity (Go SEA)

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