UCSF

ZINC55484104

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 20 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) 1.73 9.74 -16.87 0 3 0 24 272.392 5
Mid Mid (pH 6-8) 1.73 9.95 -13.7 0 3 0 24 272.392 5
Mid Mid (pH 6-8) 1.73 9.47 -17.26 0 3 0 24 272.392 5

Activity (Go SEA)

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

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