UCSF

ZINC36965032

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.20 6.38 -41.54 1 5 -1 86 344.199 4
Hi High (pH 8-9.5) 3.65 4.68 -110.34 0 5 -2 89 343.191 4

Activity (Go SEA)

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

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