UCSF

ZINC38148040

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 27 No

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) 4.14 10.96 -44.93 3 6 1 71 427.326 6
Mid Mid (pH 6-8) 4.14 8.48 -13.29 2 6 0 70 426.318 6

Activity (Go SEA)

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