UCSF

ZINC36877897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 3.49 7.58 -46.34 4 3 1 56 278.379 3
Mid Mid (pH 6-8) 3.49 7.89 -32.78 4 3 1 56 278.379 3
Mid Mid (pH 6-8) 3.49 7.3 -8.91 3 3 0 55 277.371 3
Lo Low (pH 4.5-6) 3.49 8.19 -122.15 5 3 2 58 279.387 3

Activity (Go SEA)

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

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