UCSF

ZINC69680661

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 16 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) 0.22 3.37 -6.95 1 4 0 49 220.272 3
Lo Low (pH 4.5-6) 0.22 4.26 -41.23 2 4 1 54 221.28 3
Lo Low (pH 4.5-6) 0.22 4.27 -41.08 2 4 1 54 221.28 3

Activity (Go SEA)

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

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