UCSF

ZINC05670932

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 15 Yes

Other Names:

MFCD01444075

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) 3.20 3.51 -6.52 1 3 0 46 244.077 2

Vendor Notes

Note Type Comments Provided By
melting_point 113 - 114 KeyOrganics

Activity (Go SEA)

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