UCSF

ZINC69988596

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 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) 2.94 7.63 -32.04 2 4 1 34 293.479 6
Mid Mid (pH 6-8) 2.94 8.98 -112.43 3 4 2 39 294.487 6
Mid Mid (pH 6-8) 2.94 6.85 -35.1 2 4 1 38 293.479 6

Activity (Go SEA)

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

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