UCSF

ZINC71186576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2011 14 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) 1.55 3.59 -4.02 2 4 0 56 200.282 3
Mid Mid (pH 6-8) 1.55 5.05 -37.01 3 4 1 57 201.29 3
Mid Mid (pH 6-8) 1.55 3.43 -45.27 3 4 1 57 201.29 3

Activity (Go SEA)

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

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