UCSF

ZINC20126514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 3.63 4.76 -12.45 2 4 0 65 288.734 5
Hi High (pH 8-9.5) 3.63 5.55 -39.75 1 4 -1 68 287.726 5

Activity (Go SEA)

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