UCSF

ZINC08781676

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 27 Yes

Other Names:

MFCD00244838

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) 6.13 11.06 -22.39 1 4 0 51 439.129 3

Vendor Notes

Note Type Comments Provided By
melting_point 312 - 314 KeyOrganics

Activity (Go SEA)

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