UCSF

ZINC43428031

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.46 3.9 -3.94 2 3 0 38 260.381 4
Mid Mid (pH 6-8) 0.46 6.47 -123.1 4 3 2 41 262.397 4
Lo Low (pH 4.5-6) 0.46 6.15 -33.77 3 3 1 40 261.389 4

Activity (Go SEA)

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