UCSF

ZINC61439728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 20 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) 4.22 8.72 -52.46 1 4 -1 69 283.332 3
Lo Low (pH 4.5-6) 4.22 9.09 -53.43 2 4 0 70 284.34 3

Activity (Go SEA)

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

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