UCSF

ZINC12338523

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2008 22 No

Other Names:

MFCD01316795

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) 3.80 2.53 -10.9 0 3 0 39 291.35 4

Vendor Notes

Note Type Comments Provided By
melting_point 140 - 142 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.