UCSF

ZINC57517481

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 15 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) 2.43 6.84 -48.66 0 3 -1 49 225.651 3
Lo Low (pH 4.5-6) 2.43 4.79 -9.41 1 3 0 47 226.659 3

Activity (Go SEA)

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