UCSF

ZINC04073706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 22 Yes

Other Names:

MFCD00215303

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) 4.65 8.7 -44.24 3 2 1 37 339.286 6
Hi High (pH 8-9.5) 4.65 7.83 -3.74 2 2 0 32 338.278 6

Vendor Notes

Note Type Comments Provided By
melting_point 83 - 85 KeyOrganics

Activity (Go SEA)

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