UCSF

ZINC01384986

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 Yes

Other Names:

MFCD00243840

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) 4.07 -1.36 -16.34 0 4 0 47 303.774 3

Vendor Notes

Note Type Comments Provided By
melting_point 181 - 183 KeyOrganics

Activity (Go SEA)

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

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