UCSF

ZINC28630017

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 24 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) 2.73 4.97 -18.49 2 7 0 101 342.38 5
Hi High (pH 8-9.5) 2.73 6.8 -123.61 0 7 -2 107 340.364 5
Mid Mid (pH 6-8) 2.73 6 -51.89 1 7 -1 104 341.372 5

Activity (Go SEA)

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