UCSF

ZINC13990043

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 24 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) 4.29 10.66 -4.98 0 2 0 16 336.866 7
Lo Low (pH 4.5-6) 4.29 13.05 -101.07 2 2 2 19 338.882 7
Lo Low (pH 4.5-6) 4.29 11.1 -36.48 1 2 1 17 337.874 7

Activity (Go SEA)

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