UCSF

ZINC01386723

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 15 No

Other Names:

MFCD04125279

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) -0.36 0 -11.61 4 6 0 86 211.221 3

Vendor Notes

Note Type Comments Provided By
melting_point 138 - 139 KeyOrganics

Activity (Go SEA)

Rings

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