UCSF

ZINC30676039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 25 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) 3.07 6.33 -72.12 2 6 0 72 339.419 5
Mid Mid (pH 6-8) 3.07 6.07 -12.61 1 6 0 71 338.411 5

Activity (Go SEA)

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