UCSF

ZINC69566958

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 17 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) -0.40 1.99 -9.7 2 6 0 91 257.315 7
Lo Low (pH 4.5-6) -0.40 2.33 -44.88 3 6 1 93 258.323 7

Activity (Go SEA)

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

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