UCSF

ZINC19987649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) 1.92 6.46 -41.62 2 3 1 40 218.324 5
Hi High (pH 8-9.5) 1.92 3.94 -6.65 1 3 0 39 217.316 5

Activity (Go SEA)

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