UCSF

ZINC13603882

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 2.33 4.96 -44.54 2 5 1 69 316.406 5
Hi High (pH 8-9.5) 2.33 4.1 -52.58 0 5 -1 66 314.39 5

Activity (Go SEA)

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