UCSF

ZINC19833518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) -0.39 3.01 -51.9 3 4 1 72 198.29 5
Mid Mid (pH 6-8) -0.39 2.66 -13.13 2 4 0 70 197.282 5

Activity (Go SEA)

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