UCSF

ZINC36155058

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 3.63 8.89 -50.9 0 3 -1 53 248.261 2
Lo Low (pH 4.5-6) 3.63 9.3 -60.35 1 3 0 54 249.269 2

Activity (Go SEA)

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