UCSF

ZINC43075988

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 33 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) 4.65 10.51 -11.35 1 6 0 81 444.531 2
Lo Low (pH 4.5-6) 4.65 10.92 -39.05 2 6 1 83 445.539 2

Activity (Go SEA)

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