UCSF

ZINC54895818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 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) -1.10 1.32 -55.63 3 5 1 78 288.418 1
Mid Mid (pH 6-8) -1.10 0.99 -12.09 2 5 0 76 287.41 1
Lo Low (pH 4.5-6) -1.10 1.7 -113.4 4 5 2 79 289.426 1

Activity (Go SEA)

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

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