UCSF

ZINC27641124

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 25 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) 3.05 4.48 -51.01 3 5 -1 101 353.479 12
Lo Low (pH 4.5-6) 3.05 3.36 -13.45 4 5 0 98 354.487 12

Activity (Go SEA)

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

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