UCSF

ZINC31261530

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 24 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) 6.41 16.33 -44.09 0 2 -1 40 329.504 15
Lo Low (pH 4.5-6) 6.41 14.35 -5.91 1 2 0 37 330.512 15

Activity (Go SEA)

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

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