UCSF

ZINC54697217

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 19 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) 1.91 7.94 -53.67 0 5 -1 71 264.349 5
Lo Low (pH 4.5-6) 1.91 8.64 -50.9 1 5 0 72 265.357 5

Activity (Go SEA)

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

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