UCSF

ZINC54743748

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 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) -1.54 7.83 -74.91 2 5 1 64 224.284 4
Hi High (pH 8-9.5) -1.54 6.33 -50.35 1 5 0 62 223.276 4
Hi High (pH 8-9.5) -1.54 5.53 -46.34 0 5 -1 61 222.268 4
Mid Mid (pH 6-8) -1.54 7.44 -28.87 1 5 0 62 223.276 4

Activity (Go SEA)

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

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