UCSF

ZINC43407723

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.43 7.9 -18.88 1 5 0 58 290.392 4
Hi High (pH 8-9.5) 2.06 6.64 -51.69 0 5 -1 64 289.384 5

Activity (Go SEA)

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