UCSF

ZINC69761480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 0.75 5.23 -38.02 4 4 1 55 239.368 3
Mid Mid (pH 6-8) 0.75 3.09 -5.53 3 4 0 54 238.36 3
Lo Low (pH 4.5-6) 0.75 5.71 -94.44 5 4 2 57 240.376 3

Activity (Go SEA)

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

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