UCSF

ZINC43406779

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) -0.31 1.78 -41.01 5 6 1 97 279.364 6
Mid Mid (pH 6-8) -0.31 2.84 -11.6 4 6 0 95 278.356 6
Lo Low (pH 4.5-6) -0.31 2.22 -90.76 6 6 2 98 280.372 6

Activity (Go SEA)

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