UCSF

ZINC19919288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 3.53 7.69 -41.33 2 2 1 20 249.422 9
Mid Mid (pH 6-8) 3.53 10 -117.74 3 2 2 21 250.43 9
Mid Mid (pH 6-8) 3.53 8.83 -32.98 2 2 1 16 249.422 9

Activity (Go SEA)

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