UCSF

ZINC43252797

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 2.25 3.29 -50.13 4 4 1 60 330.905 5
Hi High (pH 8-9.5) 2.25 2.99 -6.92 3 4 0 58 329.897 5
Lo Low (pH 4.5-6) 2.25 5.83 -132.27 5 4 2 61 331.913 5

Activity (Go SEA)

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