UCSF

ZINC40065142

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 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) 5.54 13.57 -9.55 0 5 0 63 430.891 2
Lo Low (pH 4.5-6) 5.54 13.9 -32.41 1 5 1 65 431.899 2

Activity (Go SEA)

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