UCSF

ZINC19844836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 3.02 5.96 -45.74 1 4 -1 65 241.698 6
Lo Low (pH 4.5-6) 3.02 6.32 -42.94 2 4 0 66 242.706 6

Activity (Go SEA)

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