UCSF

ZINC60019869

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 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) 3.12 4.96 -53.64 4 3 1 57 348.513 3
Hi High (pH 8-9.5) 3.12 5.87 -75.28 3 3 0 60 347.505 3
Hi High (pH 8-9.5) 3.12 5.87 -74.65 3 3 0 60 347.505 3

Activity (Go SEA)

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

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