UCSF

ZINC39859778

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 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) 4.36 12.19 -45.94 1 4 1 47 351.47 6
Mid Mid (pH 6-8) 4.36 10.48 -8.63 0 4 0 45 350.462 6

Activity (Go SEA)

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