UCSF

ZINC19832440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 20 Yes

Other Names:

MFCD00244186

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) 3.40 6.34 -8.14 2 4 0 72 267.332 3

Vendor Notes

Note Type Comments Provided By
melting_point 227 - 229 KeyOrganics

Activity (Go SEA)

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