UCSF

ZINC26515290

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 9 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) 0.37 -0.45 -36.96 4 3 1 60 129.183 4
Mid Mid (pH 6-8) 0.37 -1.68 -9.8 3 3 0 55 128.175 4

Activity (Go SEA)

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