UCSF

ZINC21297379

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 2.28 4.15 -13.65 1 6 0 60 354.406 5
Lo Low (pH 4.5-6) 2.28 6.54 -58.03 2 6 1 61 355.414 5

Activity (Go SEA)

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