UCSF

ZINC64219016

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2011 20 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) 3.12 1.76 -12.52 3 4 0 78 272.3 4
Hi High (pH 8-9.5) 3.12 2.54 -50 2 4 -1 81 271.292 4

Vendor Notes

Note Type Comments Provided By
M.P. 110-120 C Indofine
MP 110-120o C Indofine
SOLUBILITY Methanol Indofine

Activity (Go SEA)

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

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