UCSF

ZINC39952370

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 18 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) 2.16 5.67 -74.59 2 4 0 60 248.326 4
Mid Mid (pH 6-8) 2.16 7.93 -145.06 3 4 1 61 249.334 4
Mid Mid (pH 6-8) 2.16 4.53 -48.76 1 4 -1 55 247.318 4

Activity (Go SEA)

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