UCSF

ZINC08253061

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2006 28 No

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) 5.64 8.89 -10.34 1 6 0 81 416.886 5
Hi High (pH 8-9.5) 5.64 9.65 -41.73 0 6 -1 84 415.878 5

Activity (Go SEA)

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