UCSF

ZINC43677709

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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) 2.75 4.08 -2.89 0 2 0 12 276.199 2
Lo Low (pH 4.5-6) 2.75 6.27 -35.62 1 2 1 14 277.207 2

Activity (Go SEA)

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