UCSF

ZINC17282353

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 24 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) 5.37 9.41 -9.86 1 4 0 48 357.866 3
Ref Reference (pH 7) 4.88 9 -42.92 0 4 -1 47 356.858 4
Hi High (pH 8-9.5) 5.83 7.86 -46.31 0 4 -1 52 356.858 3
Hi High (pH 8-9.5) 5.83 7.33 -49.02 0 4 -1 52 356.858 3

Activity (Go SEA)

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