UCSF

ZINC43661354

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 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) 3.75 12.77 -40.51 1 2 1 17 315.44 4
Mid Mid (pH 6-8) 3.75 10.49 -5.56 0 2 0 16 314.432 4

Activity (Go SEA)

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