UCSF

ZINC13142594

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 17 Yes

Other Names:

MFCD02186901

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) 3.11 6.29 -9.8 1 3 0 46 250.298 3

Vendor Notes

Note Type Comments Provided By
melting_point 175 - 177 KeyOrganics

Activity (Go SEA)

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