UCSF

ZINC52530226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 15 No

Other Names:

MFCD05974962

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) 2.74 7.59 -9.36 0 4 0 49 226.663 3

Vendor Notes

Note Type Comments Provided By
melting_point 28 KeyOrganics

Activity (Go SEA)

Rings

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