UCSF

ZINC52815622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 1.22 5.21 -43.18 3 5 1 66 259.333 6
Mid Mid (pH 6-8) 1.22 5.23 -90.59 4 5 2 67 260.341 6
Mid Mid (pH 6-8) 1.22 5.38 -87.57 4 5 2 67 260.341 6

Activity (Go SEA)

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

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