UCSF

ZINC01383153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 27 No

Other Names:

MFCD00975772

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) 5.48 11.4 -10.34 0 3 0 34 366.342 3
Ref Reference (pH 7) 5.48 11.61 -9.12 0 3 0 34 366.342 3

Vendor Notes

Note Type Comments Provided By
melting_point 165 - 166 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.