UCSF

ZINC01387946

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 14 Yes

Other Names:

MFCD00665702

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) -0.05 1.64 -14.14 1 6 0 76 212.234 2
Hi High (pH 8-9.5) -0.05 1.7 -40.71 0 6 -1 78 211.226 2

Vendor Notes

Note Type Comments Provided By
melting_point 222 - 225 KeyOrganics

Activity (Go SEA)

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

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