UCSF

ZINC26507762

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 21 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) 4.71 7.8 -71.08 2 4 0 66 298.729 3
Mid Mid (pH 6-8) 4.71 7.38 -50.42 1 4 -1 65 297.721 3

Activity (Go SEA)

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