UCSF

ZINC19254879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 3.08 9.33 -123.67 4 2 2 32 274.452 2
Hi High (pH 8-9.5) 3.08 7.86 -49.68 3 2 1 31 273.444 2

Activity (Go SEA)

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