UCSF

ZINC40187363

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.60 15.65 -11.09 1 5 0 56 469.629 9
Mid Mid (pH 6-8) 6.60 16.21 -34.47 2 5 1 57 470.637 9

Activity (Go SEA)

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