UCSF

ZINC65575486

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 19 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) 1.25 7.67 -39.62 1 4 1 34 269.409 3
Mid Mid (pH 6-8) 1.25 5.52 -9.01 0 4 0 33 268.401 3

Activity (Go SEA)

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

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