UCSF

ZINC22766345

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 No

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) 0.29 3.68 -39.17 3 6 1 66 339.485 6
Mid Mid (pH 6-8) 0.29 3.34 -39.44 3 6 1 66 339.485 6
Mid Mid (pH 6-8) 0.29 1.2 -7.15 2 6 0 65 338.477 6

Activity (Go SEA)

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

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