UCSF

ZINC01382144

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 Yes

Other Names:

MFCD00244841

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) 4.98 8.91 -11.36 0 3 0 31 326.614 2
Lo Low (pH 4.5-6) 4.98 9.32 -29.65 1 3 1 32 327.622 2

Vendor Notes

Note Type Comments Provided By
melting_point 141 - 143 KeyOrganics

Activity (Go SEA)

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

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