UCSF

ZINC25769062

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 28 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) 4.40 7.82 -21.75 2 6 0 88 478.393 5
Mid Mid (pH 6-8) 4.40 7.89 -52.46 1 6 -1 90 477.385 5

Activity (Go SEA)

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