UCSF

ZINC04002667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 18 Yes

Other Names:

MFCD07021338

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) 2.43 -1.85 -9.74 3 4 0 59 258.35 2
Mid Mid (pH 6-8) 2.43 6.22 -28.33 4 4 1 61 259.358 2

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.