UCSF

ZINC21058736

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.69 4.44 -11.38 1 5 0 51 338.423 5
Mid Mid (pH 6-8) 2.69 6.31 -47.88 2 5 1 52 339.431 5

Activity (Go SEA)

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