UCSF

ZINC22796369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 3.96 9.48 -39.55 2 4 1 37 417.371 6
Mid Mid (pH 6-8) 3.96 7.21 -9.86 1 4 0 36 416.363 6

Activity (Go SEA)

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