UCSF

ZINC42803190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.09 4.73 -69.89 3 5 0 72 297.786 6
Lo Low (pH 4.5-6) 2.09 7 -129.93 4 5 1 73 298.794 6
Lo Low (pH 4.5-6) 2.09 5.65 -61.78 3 5 0 69 297.786 6

Activity (Go SEA)

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