UCSF

ZINC01390339

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 No

Other Names:

MFCD00438302

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) 3.54 1.91 -14.9 0 5 0 63 273.679 2
Mid Mid (pH 6-8) 3.54 2.14 -39.04 1 5 1 64 274.687 2

Vendor Notes

Note Type Comments Provided By
melting_point 206 - 208 KeyOrganics

Activity (Go SEA)

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