UCSF

ZINC69982044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 0.55 3.19 -37.64 2 2 1 20 187.332 2
Hi High (pH 8-9.5) 0.55 1.83 -3.4 1 2 0 15 186.324 2

Activity (Go SEA)

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

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