UCSF

ZINC04252502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 22 No

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) 4.18 7.62 -11.11 1 4 0 56 363.207 5
Hi High (pH 8-9.5) 4.18 8.62 -50.41 0 4 -1 59 362.199 5

Vendor Notes

Note Type Comments Provided By
M.P. 173-175 C Indofine
MP 173.1-174.6o C Indofine
APPEARANCE Dark yellow powder Indofine
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

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