UCSF

ZINC13114055

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 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) 4.38 6.57 -2.83 0 2 0 25 242.756 1
Ref Reference (pH 7) 4.38 6.23 -2.48 0 2 0 25 242.756 1

Vendor Notes

Note Type Comments Provided By
melting_point 68 - 70 KeyOrganics

Activity (Go SEA)

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