UCSF

ZINC43191040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 26 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) 4.77 12.62 -47.34 0 3 -1 57 355.36 4
Lo Low (pH 4.5-6) 4.77 10.66 -7.39 1 3 0 54 356.368 4

Activity (Go SEA)

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