UCSF

ZINC04025044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 21 Yes

Other Names:

MFCD04126291

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) 4.10 11.31 -44.03 1 3 1 22 300.813 3
Mid Mid (pH 6-8) 4.10 11.75 -94.11 2 3 2 23 301.821 3

Vendor Notes

Note Type Comments Provided By
melting_point 194 - 198 KeyOrganics

Activity (Go SEA)

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