UCSF

ZINC12628803

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 34 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) 3.29 11.09 -18.42 0 6 0 54 471.527 4
Mid Mid (pH 6-8) 3.29 13.74 -94.36 2 6 2 57 473.543 4

Activity (Go SEA)

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