UCSF

ZINC21789963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 25 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) 3.30 4.31 -12.52 1 6 0 81 354.435 6
Lo Low (pH 4.5-6) 3.30 4.77 -48.87 2 6 1 82 355.443 6

Activity (Go SEA)

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