UCSF

ZINC39679610

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 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) 2.65 9.05 -62.07 1 5 -1 82 353.423 4
Lo Low (pH 4.5-6) 2.65 7.33 -22.38 2 5 0 79 354.431 4

Activity (Go SEA)

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