UCSF

ZINC37318524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -0.34 0.89 -40.68 4 7 1 102 296.347 7
Hi High (pH 8-9.5) -0.34 -0.32 -13.55 3 7 0 98 295.339 7
Lo Low (pH 4.5-6) -0.33 3.07 -105.71 5 7 2 104 297.355 7

Activity (Go SEA)

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

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