UCSF

ZINC08781596

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 21 Yes

Other Names:

MFCD08064718

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) 1.13 1.35 -15.26 0 7 0 86 280.291 3

Vendor Notes

Note Type Comments Provided By
melting_point 215 - 217 KeyOrganics

Activity (Go SEA)

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

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