UCSF

ZINC39748828

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 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) 5.38 13.51 -16.98 1 6 0 73 514.474 7
Hi High (pH 8-9.5) 5.57 12.08 -51.5 0 6 -1 79 513.466 7

Activity (Go SEA)

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