UCSF

ZINC00031166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 12 Yes

CAS Number: 486-70-4

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) 1.38 3.54 -31.27 2 2 1 25 170.276 1

Vendor Notes

Note Type Comments Provided By
MP 62-65°C Indofine

Activity (Go SEA)

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