UCSF

ZINC21029946

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 29 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) 4.68 9.44 -10.61 1 5 0 45 440.346 7
Mid Mid (pH 6-8) 4.68 11.84 -45.69 2 5 1 46 441.354 7

Activity (Go SEA)

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