UCSF

ZINC79672087

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2012 12 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) -1.22 7.5 -30.48 0 1 1 3 160.24 1

Vendor Notes

Note Type Comments Provided By
MP 111-112o C Indofine
MP 111-112°C Indofine
SOLUBILITY Solubl in Methanol or acetone Indofine

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.