UCSF

ZINC14223852

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 29 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) 4.20 4.09 -43.41 1 7 -1 104 451.933 7
Hi High (pH 8-9.5) 4.20 4.21 -98.68 0 7 -2 106 450.925 7
Mid Mid (pH 6-8) 4.20 4.09 -45.16 1 7 -1 104 451.933 7
Mid Mid (pH 6-8) 4.20 3.96 -15.4 2 7 0 102 452.941 7

Activity (Go SEA)

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

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