UCSF

ZINC38579549

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 18 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) 0.80 4.52 -128.17 6 2 2 55 238.334 0
Mid Mid (pH 6-8) 0.80 4.23 -41.44 5 2 1 54 237.326 0

Vendor Notes

Note Type Comments Provided By
MP 159 TCI

Activity (Go SEA)

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