UCSF

ZINC01768849

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.16 10.52 -46.53 1 3 -1 60 375.573 4
Lo Low (pH 4.5-6) 5.16 8.55 -6.23 2 3 0 58 376.581 4

Vendor Notes

Note Type Comments Provided By
MP 183-188 °C(lit.) Indofine
MP 184o C Indofine

Activity (Go SEA)

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