UCSF

ZINC19273817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 17 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) 0.51 -0.55 -58.93 4 5 1 83 259.351 6
Hi High (pH 8-9.5) 0.51 -0.94 -10.51 3 5 0 81 258.343 6

Activity (Go SEA)

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