UCSF

ZINC13997867

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 19 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) -2.28 0.81 -46.89 1 8 -1 107 287.321 3
Hi High (pH 8-9.5) -2.28 0.49 -104.08 0 8 -2 109 286.313 3

Activity (Go SEA)

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

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