UCSF

ZINC62963451

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 No

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) 0.46 -1.06 -55.71 3 4 1 71 234.341 3
Mid Mid (pH 6-8) 0.46 -1.95 -10.18 2 4 0 66 233.333 3

Activity (Go SEA)

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

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