UCSF

ZINC21303959

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 15 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) 1.28 4.4 -12.37 1 5 0 68 208.217 3
Hi High (pH 8-9.5) 1.28 3.37 -36 0 5 -1 67 207.209 3
Lo Low (pH 4.5-6) 1.28 3.18 -35.02 2 5 1 65 209.225 3

Activity (Go SEA)

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

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