UCSF

ZINC39285490

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 4.51 6.4 -8.48 2 3 0 49 279.698 2
Hi High (pH 8-9.5) 4.51 7.4 -45.93 1 3 -1 52 278.69 2

Activity (Go SEA)

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