UCSF

ZINC54696798

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 20 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) 3.95 10.32 -51.82 0 3 -1 53 290.408 3
Lo Low (pH 4.5-6) 3.95 10.55 -36.54 1 3 0 54 291.416 3

Activity (Go SEA)

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

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