UCSF

ZINC04003070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 24 Yes

Other Names:

MFCD04125112

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) 5.23 12.96 -40.36 1 3 1 22 361.296 3
Hi High (pH 8-9.5) 5.23 10.75 -5.94 0 3 0 21 360.288 3

Vendor Notes

Note Type Comments Provided By
melting_point 136 - 139 KeyOrganics

Activity (Go SEA)

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