UCSF

ZINC25639014

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 19 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) 2.44 5.88 -6.48 1 3 0 34 256.349 6
Lo Low (pH 4.5-6) 2.44 6.32 -35.9 2 3 1 35 257.357 6

Activity (Go SEA)

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