UCSF

ZINC20362925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 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) 3.87 10.18 -50.69 2 1 1 17 278.778 5
Hi High (pH 8-9.5) 3.87 8.9 -3.27 1 1 0 12 277.77 5

Activity (Go SEA)

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