UCSF

ZINC01395175

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 14 Yes

Other Names:

MFCD03617601

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) 0.81 -0.15 -11.52 2 5 0 75 211.246 2
Mid Mid (pH 6-8) 0.81 0.03 -43.05 1 5 -1 77 210.238 2

Vendor Notes

Note Type Comments Provided By
melting_point 159 - 160 KeyOrganics

Activity (Go SEA)

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

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