UCSF

ZINC06068882

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 19 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) 3.61 5.98 -9.43 1 3 0 50 252.269 1
Hi High (pH 8-9.5) 3.87 6.1 -42.93 0 3 -1 53 251.261 1

Vendor Notes

Note Type Comments Provided By
M.P. 278 C Indofine
MP 278o C Indofine

Activity (Go SEA)

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