UCSF

ZINC12322858

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.84 2.99 -7.96 2 5 0 63 296.326 2
Ref Reference (pH 7) 3.65 5.16 -10.86 2 5 0 60 296.326 2
Lo Low (pH 4.5-6) 3.65 5.5 -39.73 3 5 1 64 297.334 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.