UCSF

ZINC01391250

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 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) 5.29 0.79 -6.93 0 2 0 22 336.243 3

Vendor Notes

Note Type Comments Provided By
melting_point 209 - 212 KeyOrganics

Activity (Go SEA)

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