UCSF

ZINC37295338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 3.86 7.6 -9.25 2 4 0 57 338.592 2
Lo Low (pH 4.5-6) 3.86 7.35 -50.61 3 4 1 59 339.6 2
Lo Low (pH 4.5-6) 3.86 7.41 -25.37 3 4 1 58 339.6 2

Activity (Go SEA)

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

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