UCSF

ZINC83429579

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2013 33 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) 1.41 9.28 -117.51 1 9 -2 133 449.511 10
Lo Low (pH 4.5-6) 1.41 10.77 -75.08 2 9 -1 135 450.519 10
Lo Low (pH 4.5-6) 1.41 8.83 -51.7 2 9 -1 135 450.519 10

Activity (Go SEA)

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

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