UCSF

ZINC62963382

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 10 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) -0.57 -1.02 -59.78 3 3 1 62 162.234 0
Mid Mid (pH 6-8) -0.57 -1.35 -11.24 2 3 0 60 161.226 0

Activity (Go SEA)

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

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