UCSF

ZINC69895915

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) 2.56 7.73 -18.57 1 5 0 56 349.312 5
Lo Low (pH 4.5-6) 2.56 8.15 -45.01 2 5 1 57 350.32 5

Activity (Go SEA)

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

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