UCSF

ZINC69231908

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 17 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) 1.59 6.73 -33.38 3 4 1 57 241.355 7
Hi High (pH 8-9.5) 1.59 3.83 -3.72 2 4 0 56 240.347 7

Activity (Go SEA)

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

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