UCSF

ZINC21248321

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 23 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) 1.87 5.07 -24.27 1 6 0 89 353.469 6
Mid Mid (pH 6-8) 1.94 4.18 -52.92 0 6 -1 95 352.461 6

Activity (Go SEA)

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