UCSF

ZINC08792491

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 37 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) 4.40 -0.5 -19.93 1 7 0 85 488.547 7
Lo Low (pH 4.5-6) 4.40 -0.33 -52.79 2 7 1 86 489.555 7
Lo Low (pH 4.5-6) 4.40 -0.38 -52.65 2 7 1 86 489.555 7
Lo Low (pH 4.5-6) 4.40 -0.21 -91.32 3 7 2 88 490.563 7

Activity (Go SEA)

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

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