UCSF

ZINC43393896

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.31 8.09 -125.54 4 2 2 32 250.43 7
Mid Mid (pH 6-8) 3.31 5.93 -43.72 3 2 1 31 249.422 7
Mid Mid (pH 6-8) 3.31 8.25 -29.14 3 2 1 30 249.422 7

Activity (Go SEA)

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