UCSF

ZINC37084170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.51 2.25 -47.02 3 4 1 49 223.344 4
Lo Low (pH 4.5-6) 0.51 4.37 -125.84 4 4 2 50 224.352 4

Activity (Go SEA)

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