UCSF

ZINC19358831

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 24 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) -0.66 5.64 -49.19 2 9 1 90 337.404 4
Mid Mid (pH 6-8) -0.66 3.17 -13.76 1 9 0 89 336.396 4

Activity (Go SEA)

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