UCSF

ZINC22662669

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 25 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) 5.75 11 -8.09 0 4 0 38 335.451 7
Mid Mid (pH 6-8) 5.75 11.32 -26.25 1 4 1 40 336.459 7

Activity (Go SEA)

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