UCSF

ZINC01385925

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 Yes

Other Names:

MFCD00244043

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) 4.39 7.96 -8.76 2 4 0 58 348.233 3
Lo Low (pH 4.5-6) 4.39 8.38 -36.58 3 4 1 59 349.241 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.