UCSF

ZINC55241904

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 18 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) 3.06 7.37 -5.78 1 2 0 33 241.334 5
Lo Low (pH 4.5-6) 3.06 7.41 -32.79 2 2 1 34 242.342 5

Activity (Go SEA)

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