UCSF

ZINC39228372

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 32 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) 3.27 10.73 -21.02 2 6 0 78 430.552 5
Lo Low (pH 4.5-6) 3.27 11.18 -45.85 3 6 1 79 431.56 5

Activity (Go SEA)

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