UCSF

ZINC13123381

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 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) 3.53 11.92 -13.41 0 5 0 52 318.38 4
Mid Mid (pH 6-8) 3.53 12.44 -31.01 1 5 1 54 319.388 4

Activity (Go SEA)

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