UCSF

ZINC39118931

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) -1.63 3.81 -26.78 2 3 1 36 181.24 1
Hi High (pH 8-9.5) -1.63 4.83 -19.33 1 3 0 39 180.232 1

Activity (Go SEA)

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