UCSF

ZINC20013002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 3.19 7.02 -42.71 4 4 1 60 310.849 3
Hi High (pH 8-9.5) 3.19 4.9 -13.54 3 4 0 58 309.841 3

Activity (Go SEA)

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