UCSF

ZINC08792304

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 33 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) 3.05 -1.92 -21.22 1 7 0 85 434.455 5
Lo Low (pH 4.5-6) 3.05 -1.75 -52.97 2 7 1 86 435.463 5
Lo Low (pH 4.5-6) 3.05 -1.81 -54.53 2 7 1 86 435.463 5
Lo Low (pH 4.5-6) 3.05 -1.64 -92.44 3 7 2 88 436.471 5

Activity (Go SEA)

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

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