UCSF

ZINC65532802

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 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 3.3 -39.61 0 6 -1 78 322.344 4
Lo Low (pH 4.5-6) 0.07 6.5 -14.78 1 6 0 71 323.352 4
Lo Low (pH 4.5-6) 0.07 5.98 -9 1 6 0 71 323.352 4

Activity (Go SEA)

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

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