UCSF

ZINC02516970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 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) 1.82 5.56 -14.75 0 5 0 58 236.223 3

Vendor Notes

Note Type Comments Provided By
M.P 104-105 C Indofine
MP 104-105o C Indofine

Activity (Go SEA)

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