UCSF

ZINC12401073

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 24 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) 3.61 10.5 -54.56 1 4 -1 69 330.448 6
Lo Low (pH 4.5-6) 4.70 6.61 -7.37 2 4 0 70 331.456 6
Lo Low (pH 4.5-6) 3.61 8.52 -10.93 2 4 0 66 331.456 6

Activity (Go SEA)

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