UCSF

ZINC19918038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.13 6.43 -41.49 3 3 1 46 324.242 2
Mid Mid (pH 6-8) 3.13 5.17 -4.82 2 3 0 41 323.234 2

Activity (Go SEA)

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