UCSF

ZINC48429980

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 4.76 6.16 -36.3 0 3 -1 48 353.609 3
Lo Low (pH 4.5-6) 4.76 5.72 -7.13 1 3 0 46 354.617 3

Activity (Go SEA)

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