UCSF

ZINC04323697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 19 Yes

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) 5.01 2.29 -5.77 0 2 0 30 270.715 2

Vendor Notes

Note Type Comments Provided By
melting_point 109 - 110 KeyOrganics

Activity (Go SEA)

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