UCSF

ZINC49544893

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 26 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) 0.08 1.6 -19.06 1 8 0 102 395.51 2
Ref Reference (pH 7) -0.10 3.97 -19.67 1 8 0 99 395.51 2
Lo Low (pH 4.5-6) 0.08 1.72 -47.92 2 8 1 104 396.518 2
Lo Low (pH 4.5-6) -0.10 4.09 -51.27 2 8 1 100 396.518 2

Activity (Go SEA)

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

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