UCSF

ZINC21789917

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.57 2.96 -13.29 1 6 0 81 344.371 5
Lo Low (pH 4.5-6) 2.57 3.42 -50.25 2 6 1 82 345.379 5

Activity (Go SEA)

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