UCSF

ZINC35016879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 3.06 9.71 -105.11 3 2 2 21 250.43 5
Mid Mid (pH 6-8) 3.06 7.47 -37.66 2 2 1 20 249.422 5

Activity (Go SEA)

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