UCSF

ZINC19677953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.20 3.04 -47.25 2 4 1 40 226.344 2
Lo Low (pH 4.5-6) -0.20 5.06 -126.33 3 4 2 41 227.352 2
Lo Low (pH 4.5-6) -0.20 3.66 -42.37 2 4 1 37 226.344 2

Activity (Go SEA)

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