UCSF

ZINC47464775

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) -0.73 2.44 -10.83 1 6 0 72 277.324 5
Lo Low (pH 4.5-6) -0.73 2.9 -42.6 2 6 1 73 278.332 5

Activity (Go SEA)

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