UCSF

ZINC04118679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 22 No

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) 3.53 -0.66 -7.82 1 6 0 83 314.732 4

Vendor Notes

Note Type Comments Provided By
melting_point 259 - 262 KeyOrganics

Activity (Go SEA)

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