UCSF

ZINC19552687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 30 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) -0.20 7.05 -17.41 0 9 0 82 418.542 6
Mid Mid (pH 6-8) -0.20 9.39 -58.78 1 9 1 83 419.55 6

Activity (Go SEA)

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