UCSF

ZINC04987122

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 26 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) 3.32 12.07 -9.65 1 7 0 78 354.41 5
Hi High (pH 8-9.5) 3.49 11.98 -38.54 0 7 -1 80 353.402 5

Activity (Go SEA)

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