UCSF

ZINC39260951

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 25 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) 6.51 14.31 -8.26 0 2 0 18 411.785 5
Lo Low (pH 4.5-6) 6.51 14.75 -31.01 1 2 1 19 412.793 5

Activity (Go SEA)

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