UCSF

ZINC02544784

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 5.43 -2.12 -3.99 2 2 0 32 320.23 4

Vendor Notes

Note Type Comments Provided By
melting_point 112 - 113 KeyOrganics

Activity (Go SEA)

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