UCSF

ZINC38586029

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 15 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) 2.68 6.11 -6.06 3 4 0 64 208.309 6
Mid Mid (pH 6-8) 2.68 6.56 -26.58 4 4 1 65 209.317 6

Activity (Go SEA)

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