UCSF

ZINC36870115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) -0.31 -1.91 -10.51 1 4 0 49 232.349 2
Lo Low (pH 4.5-6) -0.31 0.35 -52.14 2 4 1 51 233.357 2
Lo Low (pH 4.5-6) -0.31 1.68 -130.02 3 4 2 55 234.365 2

Activity (Go SEA)

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

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