UCSF

ZINC58166884

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 22 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) 3.25 7.06 -38.82 3 3 1 37 297.422 5
Lo Low (pH 4.5-6) 3.25 6.05 -38.36 3 3 1 40 297.422 5

Activity (Go SEA)

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