UCSF

ZINC36935619

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 4.18 6.9 -5 3 3 0 55 249.745 4
Lo Low (pH 4.5-6) 4.18 6.89 -31.71 4 3 1 56 250.753 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4451479 IBM Patent Data

Activity (Go SEA)

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