UCSF

ZINC20899586

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 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) 4.80 12.59 -15.88 1 6 0 81 458.587 5
Hi High (pH 8-9.5) 5.26 11.51 -46.47 0 6 -1 84 457.579 5

Activity (Go SEA)

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

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