UCSF

ZINC04050587

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 20 Yes

Other Names:

MFCD02081987

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) 2.54 1.85 -8.33 0 6 0 66 316.144 5

Vendor Notes

Note Type Comments Provided By
melting_point 155 - 157 KeyOrganics

Activity (Go SEA)

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