UCSF

ZINC04002444

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 20 Yes

Other Names:

MFCD00202358

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) 2.87 -1.12 -11.9 1 4 0 46 307.184 3
Mid Mid (pH 6-8) 2.87 -1.02 -32.2 2 4 1 47 308.192 3

Vendor Notes

Note Type Comments Provided By
melting_point 243 - 245 KeyOrganics

Activity (Go SEA)

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

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