UCSF

ZINC69921352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 19 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) 0.44 9.18 -80.02 2 5 2 44 266.389 4
Hi High (pH 8-9.5) 0.44 6.25 -12.24 0 5 0 41 264.373 4
Mid Mid (pH 6-8) 0.44 8.46 -43.43 1 5 1 43 265.381 4

Activity (Go SEA)

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

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