UCSF

ZINC43078552

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 25 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) 2.47 8.36 -11 2 7 0 83 344.415 5
Lo Low (pH 4.5-6) 2.47 8.73 -35.25 3 7 1 84 345.423 5
Lo Low (pH 4.5-6) 2.47 8.76 -34.01 3 7 1 84 345.423 5

Activity (Go SEA)

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