UCSF

ZINC57753781

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 25 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) 2.81 4.37 -10.86 2 5 0 65 358.825 3
Lo Low (pH 4.5-6) 2.81 6.63 -37.58 3 5 1 66 359.833 3

Activity (Go SEA)

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