UCSF

ZINC43971399

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.44 7.59 -35.14 2 3 1 26 275.416 4
Mid Mid (pH 6-8) 2.44 8.88 -118.41 3 3 2 30 276.424 4

Activity (Go SEA)

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