UCSF

ZINC54699090

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 21 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) 2.65 9.18 -54.17 0 5 -1 71 292.403 6
Lo Low (pH 4.5-6) 2.65 10.21 -50.66 1 5 0 72 293.411 6

Activity (Go SEA)

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

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