UCSF

ZINC01400144

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 26 Yes

Other Names:

MFCD00141455

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) 4.36 12.27 -10.18 0 6 0 56 410.275 2

Vendor Notes

Note Type Comments Provided By
melting_point 245 - 247 KeyOrganics

Activity (Go SEA)

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