UCSF

ZINC20310647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 29 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) 3.10 9.38 -74.73 2 6 0 85 394.471 8
Hi High (pH 8-9.5) 3.10 10.41 -129.64 1 6 -1 88 393.463 8
Hi High (pH 8-9.5) 3.10 8.2 -133.76 0 6 -2 87 392.455 8

Activity (Go SEA)

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