UCSF

ZINC19799485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 24 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) 5.60 11.65 -37.01 1 2 1 8 405.176 4
Mid Mid (pH 6-8) 5.60 9.32 -2.98 0 2 0 6 404.168 4

Activity (Go SEA)

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