UCSF

ZINC37718693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 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) 1.20 2.92 -53.37 5 5 1 82 271.344 5
Lo Low (pH 4.5-6) 1.20 3.39 -89.02 6 5 2 83 272.352 5

Activity (Go SEA)

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

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