UCSF

ZINC42429952

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) -1.74 1.73 -73.36 3 4 0 71 186.255 3
Mid Mid (pH 6-8) -1.74 3.82 -89.75 4 4 1 72 187.263 3

Activity (Go SEA)

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