UCSF

ZINC28295597

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 24 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) 3.09 7.68 -10.49 1 5 0 68 338.285 6
Hi High (pH 8-9.5) 3.16 7.05 -44.48 0 5 -1 75 337.277 6

Activity (Go SEA)

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

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