UCSF

ZINC28248506

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) 3.66 6.78 -45.66 0 5 -1 74 338.478 5
Lo Low (pH 4.5-6) 3.66 6.72 -14.59 1 5 0 72 339.486 5

Activity (Go SEA)

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