UCSF

ZINC04042106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 29 No

Other Names:

MFCD00975842

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) 5.53 12.44 -12.88 1 4 0 46 395.384 5
Ref Reference (pH 7) 5.53 12.32 -16.71 1 4 0 46 395.384 5

Vendor Notes

Note Type Comments Provided By
melting_point 135 - 137 KeyOrganics

Activity (Go SEA)

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