UCSF

ZINC43408929

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.66 8.49 -31.73 3 3 1 43 274.413 2
Mid Mid (pH 6-8) 2.66 8.07 -11.57 2 3 0 42 273.405 2

Activity (Go SEA)

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