UCSF

ZINC66200223

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 29 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) 3.48 3.42 -55.41 1 8 -1 112 452.299 6
Lo Low (pH 4.5-6) 3.48 3.92 -17.49 2 8 0 110 453.307 6

Activity (Go SEA)

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

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