UCSF

ZINC39805948

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 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) -1.05 3.01 -71.64 7 9 0 162 424.457 9
Hi High (pH 8-9.5) -1.05 2.77 -52.88 6 9 -1 160 423.449 9

Activity (Go SEA)

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