UCSF

ZINC15987502

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 16 Yes

Other Names:

MFCD00794910

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) 2.03 6.02 -11.19 1 3 0 46 232.308 3
Hi High (pH 8-9.5) 2.49 3.98 -46.98 0 3 -1 49 231.3 3

Vendor Notes

Note Type Comments Provided By
melting_point 99 - 101 KeyOrganics

Activity (Go SEA)

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

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