UCSF

ZINC03057070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 33 Yes

Other Names:

MFCD00683306

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) 6.72 5.23 -10.11 0 3 0 51 444.408 6

Vendor Notes

Note Type Comments Provided By
melting_point 182 - 183 KeyOrganics

Activity (Go SEA)

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