UCSF

ZINC62800404

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 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) 1.75 7.49 -40.5 2 5 1 61 272.328 5
Mid Mid (pH 6-8) 1.75 6.98 -13.19 1 5 0 60 271.32 5

Activity (Go SEA)

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

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