UCSF

ZINC42452443

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 No

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) -2.18 -2.23 -50.19 5 6 1 97 218.277 7
Hi High (pH 8-9.5) -1.99 -2 -60.78 4 6 0 104 217.269 7
Hi High (pH 8-9.5) -2.18 -3.37 -8.56 4 6 0 96 217.269 7

Activity (Go SEA)

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