UCSF

ZINC20119520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 31 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) 4.19 6.1 -18.27 1 7 0 87 487.043 9
Hi High (pH 8-9.5) 4.19 6.76 -51.79 0 7 -1 90 486.035 9

Activity (Go SEA)

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

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