UCSF

ZINC13544991

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 2.50 4.5 -18.53 4 5 0 84 369.899 6
Hi High (pH 8-9.5) 3.17 4.21 -41.49 3 5 -1 85 368.891 5
Hi High (pH 8-9.5) 3.17 4.69 -42.35 3 5 -1 85 368.891 5

Activity (Go SEA)

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

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