UCSF

ZINC40123170

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 No

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) 2.42 4.35 -65.46 3 8 -1 131 423.445 10
Lo Low (pH 4.5-6) 2.42 3.59 -23.22 4 8 0 128 424.453 10

Activity (Go SEA)

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