UCSF

ZINC19434189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) -0.14 1.41 -45.35 3 4 1 57 201.29 2
Mid Mid (pH 6-8) -0.14 1.07 -9.28 2 4 0 56 200.282 2

Activity (Go SEA)

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