UCSF

ZINC19451164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 28 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) 2.92 7.25 -13.42 2 6 0 72 395.429 6
Lo Low (pH 4.5-6) 2.92 7.62 -35.05 3 6 1 73 396.437 6

Activity (Go SEA)

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

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