UCSF

ZINC51924683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 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) 2.37 7.94 -107.73 3 4 2 38 324.44 6
Hi High (pH 8-9.5) 2.37 5.63 -36.09 2 4 1 37 323.432 6

Activity (Go SEA)

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