UCSF

ZINC12236291

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 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) 0.08 -2.73 -11.86 1 6 0 77 288.332 3
Lo Low (pH 4.5-6) 0.08 -2.62 -41.05 2 6 1 78 289.34 3

Activity (Go SEA)

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