UCSF

ZINC01405306

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 21 Yes

Other Names:

MFCD01315606

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) 2.52 7.88 -12.06 0 5 0 69 301.323 3

Vendor Notes

Note Type Comments Provided By
melting_point 192 - 194 KeyOrganics

Activity (Go SEA)

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

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