UCSF

ZINC19439520

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) -0.48 1.16 -99.69 5 4 2 61 187.287 4
Hi High (pH 8-9.5) -0.48 0.77 -40.83 4 4 1 60 186.279 4
Hi High (pH 8-9.5) -0.48 -1.08 -46.41 4 4 1 60 186.279 4

Activity (Go SEA)

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