UCSF

ZINC69908609

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 12 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) 1.09 3.35 -42.37 2 2 1 20 187.332 1
Mid Mid (pH 6-8) 1.09 1.64 -2.4 1 2 0 15 186.324 1
Lo Low (pH 4.5-6) 1.09 5 -117.57 3 2 2 21 188.34 1

Activity (Go SEA)

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

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