UCSF

ZINC58591900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 23 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) -3.16 3.06 -81.44 3 8 0 118 325.365 3
Hi High (pH 8-9.5) -3.16 1.86 -72.63 2 8 -1 113 324.357 3

Activity (Go SEA)

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