UCSF

ZINC19430501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 13 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) -0.05 2.38 -86.5 4 3 2 35 187.331 5
Lo Low (pH 4.5-6) -0.05 4.8 -175.2 5 3 3 37 188.339 5

Activity (Go SEA)

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