UCSF

ZINC43408277

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.48 8.45 -12.22 3 3 0 51 297.427 4
Mid Mid (pH 6-8) 3.48 8.77 -37.09 4 3 1 52 298.435 4

Activity (Go SEA)

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