UCSF

ZINC69485114

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 2.23 6.82 -20.75 2 5 0 79 324.38 4
Hi High (pH 8-9.5) 2.68 6.15 -56.73 1 5 -1 82 323.372 4

Activity (Go SEA)

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

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