UCSF

ZINC62973846

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) -0.26 -0.75 -42.37 3 4 1 43 228.36 4
Mid Mid (pH 6-8) -0.26 1.46 -106.89 4 4 2 45 229.368 4
Mid Mid (pH 6-8) -0.26 1.45 -88.15 4 4 2 45 229.368 4
Lo Low (pH 4.5-6) -0.26 3.67 -197.45 5 4 3 46 230.376 4

Activity (Go SEA)

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

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