UCSF

ZINC09971356

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 27 Yes

Other Names:

MFCD01240921

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.23 -2.75 -59.32 2 5 1 53 496.223 5

Vendor Notes

Note Type Comments Provided By
melting_point 173 - 174 KeyOrganics

Activity (Go SEA)

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