UCSF

ZINC01384322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 26 Yes

Other Names:

MFCD03012896

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) 2.45 12.57 -47.76 1 4 1 30 346.454 4

Vendor Notes

Note Type Comments Provided By
melting_point 112 - 114 KeyOrganics

Activity (Go SEA)

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