UCSF

ZINC42802578

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.64 4.69 -46.54 1 5 -1 65 297.762 6
Mid Mid (pH 6-8) 2.64 6.96 -64.14 2 5 0 66 298.77 6

Activity (Go SEA)

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