UCSF

ZINC01400817

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 21 Yes

Other Names:

MFCD00243502

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) 3.79 2.76 -6.75 0 3 0 34 314.332 4

Vendor Notes

Note Type Comments Provided By
melting_point 101 - 103 KeyOrganics

Activity (Go SEA)

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