UCSF

ZINC26468906

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 15 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) -0.67 -2.37 -57.52 3 5 1 80 238.329 6
Mid Mid (pH 6-8) -0.67 -3.66 -13.58 2 5 0 76 237.321 6

Activity (Go SEA)

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