UCSF

ZINC62937419

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 19 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) -0.27 5.35 -43.89 1 7 0 91 270.285 4
Hi High (pH 8-9.5) -0.27 2.89 -54.73 0 7 -1 90 269.277 4

Activity (Go SEA)

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

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