UCSF

ZINC48411516

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 19 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) -0.28 3.33 -19.04 1 6 0 66 282.369 4
Lo Low (pH 4.5-6) -0.28 3.78 -46.38 2 6 1 67 283.377 4

Activity (Go SEA)

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