UCSF

ZINC19371347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 24 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) 3.17 11.79 -47.23 1 4 1 38 323.416 3
Mid Mid (pH 6-8) 3.17 10.42 -44.96 1 4 1 38 323.416 3
Mid Mid (pH 6-8) 3.17 9.47 -9.48 0 4 0 37 322.408 3

Activity (Go SEA)

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

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