UCSF

ZINC62319948

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 18 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) -2.31 6.91 -85.56 3 6 1 79 251.31 5
Hi High (pH 8-9.5) -2.31 5.11 -34.49 2 6 0 78 250.302 5
Hi High (pH 8-9.5) -2.31 4.08 -51.96 2 6 0 74 250.302 5
Mid Mid (pH 6-8) -2.31 5.58 -65.17 3 6 1 79 251.31 5

Activity (Go SEA)

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

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