UCSF

ZINC52815953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 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) 1.06 4.33 -13.07 1 6 0 67 250.302 4
Mid Mid (pH 6-8) 1.06 4.52 -38 2 6 1 69 251.31 4
Mid Mid (pH 6-8) 1.06 4.51 -40.23 2 6 1 69 251.31 4

Activity (Go SEA)

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

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