UCSF

ZINC13283894

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 14 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) 1.82 4.96 -50.38 0 3 -1 53 186.19 1
Lo Low (pH 4.5-6) 1.82 5.23 -53.25 1 3 0 54 187.198 1

Vendor Notes

Note Type Comments Provided By
melting_point 296 - 297 KeyOrganics

Activity (Go SEA)

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