UCSF

ZINC01403520

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 15 Yes

Other Names:

MFCD02083490

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) 1.61 6.72 -11.2 0 4 0 43 199.213 1
Mid Mid (pH 6-8) 1.61 6.83 -33.13 1 4 1 45 200.221 1

Vendor Notes

Note Type Comments Provided By
melting_point 146 - 148 KeyOrganics

Activity (Go SEA)

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

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