UCSF

ZINC40064844

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 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) 3.93 7.77 -11.57 1 7 0 89 488.334 5
Hi High (pH 8-9.5) 3.93 8.69 -51.82 0 7 -1 92 487.326 5

Activity (Go SEA)

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