UCSF

ZINC12856054

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 20 Yes

Other Names:

MFCD07021402

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) 3.32 -1.42 -9.01 2 4 0 65 270.332 4

Vendor Notes

Note Type Comments Provided By
melting_point 156 - 158 KeyOrganics

Activity (Go SEA)

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