UCSF

ZINC12401904

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 38 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) 6.51 18.57 -6.35 0 3 0 24 500.686 6
Lo Low (pH 4.5-6) 6.51 19.8 -38.71 1 3 1 25 501.694 6
Lo Low (pH 4.5-6) 6.51 19.77 -37.69 1 3 1 25 501.694 6

Activity (Go SEA)

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