UCSF

ZINC39949131

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 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) 1.56 5.29 -41.36 3 5 1 66 340.447 4
Mid Mid (pH 6-8) 1.56 3.07 -10.96 2 5 0 65 339.439 4
Lo Low (pH 4.5-6) 1.56 5.6 -100.76 4 5 2 68 341.455 4

Activity (Go SEA)

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