UCSF

ZINC21639538

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 3.26 10.15 -8.82 1 5 0 46 355.392 4
Mid Mid (pH 6-8) 3.26 12.49 -48.1 2 5 1 47 356.4 4

Activity (Go SEA)

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