UCSF

ZINC19520184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 26 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) 3.39 6.61 -35.41 2 5 1 46 357.474 7
Mid Mid (pH 6-8) 3.39 6.73 -33.91 2 5 1 46 357.474 7
Mid Mid (pH 6-8) 3.39 4.3 -9.24 1 5 0 45 356.466 7

Activity (Go SEA)

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