UCSF

ZINC43408429

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 No

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) 1.45 3.49 -16.56 4 5 0 85 290.392 3
Mid Mid (pH 6-8) 1.45 3.89 -28.17 5 5 1 86 291.4 3

Activity (Go SEA)

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