UCSF

ZINC39964155

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 28 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) 3.07 13.09 -12.68 1 6 0 67 378.407 4
Mid Mid (pH 6-8) 3.07 13.55 -33.66 2 6 1 68 379.415 4

Activity (Go SEA)

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