UCSF

ZINC69232465

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) -0.14 8.37 -69.48 4 4 1 72 275.372 4
Mid Mid (pH 6-8) -0.14 6.1 -36.64 3 4 0 71 274.364 4
Mid Mid (pH 6-8) -0.14 8.67 -35.12 3 4 0 71 274.364 4

Activity (Go SEA)

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

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