UCSF

ZINC90615275

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2013 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) -0.30 5.72 -42.86 2 5 0 83 229.276 4
Hi High (pH 8-9.5) -0.30 4.36 -51.71 1 5 -1 78 228.268 4

Activity (Go SEA)

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

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