UCSF

ZINC04416389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 20 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) 5.01 11.56 -9.28 0 4 0 53 286.412 15

Vendor Notes

Note Type Comments Provided By
BP 196 / 10 TCI
MP 43 TCI
M.P 43 °C Indofine

Activity (Go SEA)

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