UCSF

ZINC40042399

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) 4.02 7.95 -11.22 1 7 0 89 488.334 6
Hi High (pH 8-9.5) 4.02 8.87 -51.33 0 7 -1 92 487.326 6

Activity (Go SEA)

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