UCSF

ZINC83920861

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2013 23 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) -2.73 -5.03 -34.29 6 9 1 134 333.361 2
Hi High (pH 8-9.5) -2.73 -6.35 -10.43 5 9 0 130 332.353 2

Activity (Go SEA)

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

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