UCSF

ZINC48962406

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 3.12 9.24 -8.12 0 5 0 45 338.184 2
Lo Low (pH 4.5-6) 3.12 9.56 -31.75 1 5 1 46 339.192 2

Activity (Go SEA)

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