UCSF

ZINC43285739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 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) 3.28 5.95 -40.54 3 2 1 31 358.3 5
Hi High (pH 8-9.5) 3.28 8.28 -36.51 3 2 1 30 358.3 5
Hi High (pH 8-9.5) 3.28 5.64 -3.49 2 2 0 29 357.292 5

Activity (Go SEA)

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