UCSF

ZINC42631908

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 26 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) 2.38 5.3 -11.13 1 6 0 56 366.55 8
Lo Low (pH 4.5-6) 2.38 7.49 -37.59 2 6 1 57 367.558 8
Lo Low (pH 4.5-6) 2.38 7.55 -38.43 2 6 1 57 367.558 8

Activity (Go SEA)

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