UCSF

ZINC05726657

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 30 Yes

Other Names:

MFCD02187469

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.97 -0.48 -47.88 2 8 1 85 413.498 6

Vendor Notes

Note Type Comments Provided By
melting_point 132 - 134 KeyOrganics

Activity (Go SEA)

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