UCSF

ZINC22528168

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 31 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) 5.73 9.66 -18.79 2 5 0 75 456.995 6
Mid Mid (pH 6-8) 5.73 9.71 -52.53 1 5 -1 77 455.987 6

Activity (Go SEA)

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