UCSF

ZINC05719742

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 21 Yes

Other Names:

MFCD01814894

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) 4.47 10.98 -46.8 1 2 1 22 300.809 3
Mid Mid (pH 6-8) 4.47 8.44 -6.9 0 2 0 20 299.801 3

Vendor Notes

Note Type Comments Provided By
melting_point 51 - 52 KeyOrganics

Activity (Go SEA)

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