UCSF

ZINC20034380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 33 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) 5.15 13.62 -13.77 2 9 0 94 470.961 9
Lo Low (pH 4.5-6) 5.15 13.75 -36.42 3 9 1 95 471.969 9
Lo Low (pH 4.5-6) 5.15 13.95 -42.02 3 9 1 95 471.969 9

Activity (Go SEA)

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