UCSF

ZINC47464410

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.99 6.17 -56.76 1 5 -1 77 363.846 5
Mid Mid (pH 6-8) 3.99 6.15 -11.53 2 5 0 75 364.854 5

Activity (Go SEA)

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