UCSF

ZINC19842263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 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) 3.58 9.65 -37.85 1 3 1 17 329.439 6
Mid Mid (pH 6-8) 3.58 9.66 -38.64 1 3 1 17 329.439 6
Mid Mid (pH 6-8) 3.58 7.34 -6.33 0 3 0 16 328.431 6

Activity (Go SEA)

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