UCSF

ZINC16124914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 15 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) -3.08 -7.56 -15.77 5 7 0 119 221.209 2

Vendor Notes

Note Type Comments Provided By
MP 158-162 °C Indofine

Activity (Go SEA)

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