UCSF

ZINC60019814

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 24 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) 2.57 7.07 -49.17 3 4 1 55 348.488 9
Hi High (pH 8-9.5) 2.57 5.71 -8.68 2 4 0 51 347.48 9

Activity (Go SEA)

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

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