UCSF

ZINC43428052

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.81 1.79 -40.85 3 3 1 40 199.318 3
Lo Low (pH 4.5-6) 0.81 3.71 -120.53 4 3 2 41 200.326 3

Activity (Go SEA)

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