UCSF

ZINC37055182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.08 2.7 -52.89 2 6 -1 100 410.067 3
Lo Low (pH 4.5-6) 2.08 2.85 -13.45 3 6 0 98 411.075 3

Activity (Go SEA)

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