UCSF

ZINC20219254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 26 Yes

Other Names:

MFCD03012852

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) 2.99 9.2 -43.91 2 5 1 50 365.379 4
Mid Mid (pH 6-8) 2.99 6.86 -9.89 1 5 0 48 364.371 4

Vendor Notes

Note Type Comments Provided By
melting_point 216 - 218 KeyOrganics

Activity (Go SEA)

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