UCSF

ZINC72266089

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2012 10 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) -0.26 2.7 -72.99 3 3 0 68 143.186 2
Lo Low (pH 4.5-6) -0.26 0.71 -47.61 4 3 1 65 144.194 2

Activity (Go SEA)

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

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