UCSF

ZINC37839142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.33 3.18 -23.91 2 5 0 80 212.249 3
Hi High (pH 8-9.5) 0.41 2.07 -60.78 2 5 -1 86 211.241 2

Activity (Go SEA)

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