UCSF

ZINC19995809

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 23 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) 1.77 7.45 -9.2 0 6 0 59 322.397 1
Lo Low (pH 4.5-6) 1.77 7.88 -42.9 1 6 1 60 323.405 1

Activity (Go SEA)

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

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