UCSF

ZINC19994851

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 24 No

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) 0.45 1.21 -51.71 1 8 -1 100 333.299 3
Lo Low (pH 4.5-6) -0.01 2.98 -12.59 2 8 0 96 334.307 3

Activity (Go SEA)

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

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