UCSF

ZINC62870907

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 20 Yes

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) -0.41 4.13 -78.55 2 6 0 80 283.372 4
Hi High (pH 8-9.5) -0.41 2.77 -52.1 1 6 -1 76 282.364 4

Activity (Go SEA)

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

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