UCSF

ZINC39964097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 27 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) 2.69 12.34 -14.64 1 6 0 67 364.38 4
Mid Mid (pH 6-8) 2.69 12.81 -37.09 2 6 1 68 365.388 4

Activity (Go SEA)

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