UCSF

ZINC12410098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 14 No

Other Names:

MFCD00140801

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) 1.78 2.45 -11.79 1 4 0 54 196.25 0
Ref Reference (pH 7) 1.78 2.44 -12.03 1 4 0 54 196.25 0

Vendor Notes

Note Type Comments Provided By
melting_point 139 - 141 KeyOrganics

Activity (Go SEA)

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