UCSF

ZINC39123385

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 10 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) 1.69 4.33 -41.45 2 1 1 17 154.258 0
Hi High (pH 8-9.5) 1.69 2.97 -2.37 1 1 0 12 153.25 0

Activity (Go SEA)

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