UCSF

ZINC35019916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.32 5.33 -10.41 0 3 0 30 269.291 3
Lo Low (pH 4.5-6) 2.32 7.54 -50.67 1 3 1 31 270.299 3

Activity (Go SEA)

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