UCSF

ZINC36979382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.56 10.42 -108.22 3 2 2 21 296.886 4
Hi High (pH 8-9.5) 3.56 9.78 -32.41 2 2 1 16 295.878 4
Hi High (pH 8-9.5) 3.56 8.48 -40.68 2 2 1 20 295.878 4

Activity (Go SEA)

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