UCSF

ZINC35680360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 16 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) -0.56 4.77 -39.75 2 6 0 77 229.28 3
Mid Mid (pH 6-8) -0.56 2.62 -45.07 1 6 -1 76 228.272 3

Activity (Go SEA)

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