UCSF

ZINC39127760

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 3.83 6.39 -12.02 2 5 0 67 357.479 5
Lo Low (pH 4.5-6) 3.83 6.88 -38.01 3 5 1 69 358.487 5

Activity (Go SEA)

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