UCSF

ZINC37987283

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) 2.78 6.36 -9.41 1 5 0 54 350.216 4
Lo Low (pH 4.5-6) 2.78 6.83 -31.87 2 5 1 56 351.224 4

Activity (Go SEA)

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