UCSF

ZINC21298388

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 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) 0.49 4.5 -54.42 2 6 1 72 259.326 5
Mid Mid (pH 6-8) 0.49 3.09 -8.82 1 6 0 68 258.318 5

Activity (Go SEA)

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