UCSF

ZINC37868889

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 2.19 5.69 -13.73 1 4 0 55 297.745 3
Lo Low (pH 4.5-6) 2.19 6.14 -50.34 2 4 1 56 298.753 3

Activity (Go SEA)

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