UCSF

ZINC00133482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 25 Yes

Other Names:

MFCD02675257

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) 3.32 8.17 -50.89 2 5 1 46 344.41 5
Mid Mid (pH 6-8) 3.32 6.03 -11.24 1 5 0 45 343.402 5

Vendor Notes

Note Type Comments Provided By
melting_point 116 - 117 KeyOrganics

Activity (Go SEA)

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