UCSF

ZINC24052769

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 20 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) 0.86 3.37 -14.35 2 6 0 86 277.324 5
Lo Low (pH 4.5-6) 0.86 3.64 -45.46 3 6 1 87 278.332 5

Activity (Go SEA)

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