UCSF

ZINC69949765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 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) -0.55 -2.22 -49.35 5 6 1 102 231.301 4
Mid Mid (pH 6-8) -0.55 -2.58 -11.39 4 6 0 101 230.293 4
Lo Low (pH 4.5-6) -0.55 -1.81 -97.2 6 6 2 104 232.309 4

Activity (Go SEA)

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

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