UCSF

ZINC13143354

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 22 Yes

Other Names:

MFCD01443647

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.11 11.34 -46.98 1 2 1 22 318.799 3

Vendor Notes

Note Type Comments Provided By
melting_point 66 - 68 KeyOrganics

Activity (Go SEA)

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