UCSF

ZINC36877027

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.70 5.95 -51.65 4 3 1 56 248.325 3
Hi High (pH 8-9.5) 0.70 5.72 -6.4 3 3 0 55 247.317 3
Hi High (pH 8-9.5) 0.70 5.4 -30.66 4 3 1 56 248.325 3
Mid Mid (pH 6-8) 0.70 5.78 -115.77 5 3 2 58 249.333 3

Activity (Go SEA)

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