UCSF

ZINC19237601

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 29 No

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) -2.55 8.63 -28.82 2 8 1 88 393.471 3
Mid Mid (pH 6-8) -2.55 11.01 -82.79 3 8 2 89 394.479 3

Activity (Go SEA)

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