UCSF

ZINC05434383

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 9 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) -1.76 -1.91 -39.18 3 4 0 84 131.131 3

Vendor Notes

Note Type Comments Provided By
MP 73-76o C Indofine
SOLUBILITY Store at 0-5 C Indofine

Activity (Go SEA)

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

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