UCSF

ZINC59910411

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 12 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) -4.91 -2.42 -51.56 3 7 -1 134 216.216 5
Hi High (pH 8-9.5) -4.91 -2.72 -90.58 2 7 -2 133 215.208 5

Activity (Go SEA)

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

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