UCSF

ZINC36197615

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.07 7.91 -47.75 2 4 1 50 260.361 6
Hi High (pH 8-9.5) 2.07 5.76 -13.51 1 4 0 49 259.353 6
Lo Low (pH 4.5-6) 2.07 8.34 -81.49 3 4 2 51 261.369 6

Activity (Go SEA)

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