UCSF

ZINC39550583

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 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) 6.39 12.63 -13.96 1 4 0 63 454.526 5
Lo Low (pH 4.5-6) 6.39 13.16 -40.9 2 4 1 64 455.534 5

Activity (Go SEA)

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