UCSF

ZINC41655836

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 3.61 7.13 -45.72 0 4 -1 56 324.187 2
Mid Mid (pH 6-8) 3.61 9.42 -48.33 1 4 0 57 325.195 2

Activity (Go SEA)

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