UCSF

ZINC04072883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 15 Yes

Other Names:

MFCD03617789

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) 1.27 0.38 -7.31 2 4 0 59 227.647 2

Vendor Notes

Note Type Comments Provided By
melting_point 176 - 178 KeyOrganics

Activity (Go SEA)

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