UCSF

ZINC62780103

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 16 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) 0.67 -0.96 -39.87 3 6 1 84 222.272 5
Hi High (pH 8-9.5) 0.67 -2.41 -8.91 2 6 0 80 221.264 5

Activity (Go SEA)

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

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