UCSF

ZINC44779074

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 15 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) -0.03 2.78 -50.48 4 4 1 60 230.357 3
Hi High (pH 8-9.5) -0.17 0.91 -48.99 3 4 0 66 229.349 3

Activity (Go SEA)

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