UCSF

ZINC69052173

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 16 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) 2.13 7.41 -42.59 2 3 1 33 220.34 5
Hi High (pH 8-9.5) 2.13 5.94 -4.24 1 3 0 28 219.332 5
Mid Mid (pH 6-8) 2.13 7.9 -94.91 3 3 2 34 221.348 5

Activity (Go SEA)

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

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