UCSF

ZINC43403576

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.54 0.65 -45.26 3 6 1 83 276.364 6
Hi High (pH 8-9.5) 0.54 0.4 -9.26 2 6 0 81 275.356 6
Mid Mid (pH 6-8) 0.54 1.1 -85.93 4 6 2 84 277.372 6

Activity (Go SEA)

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