UCSF

ZINC41664973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 4.66 8.44 -12.21 0 5 0 52 399.874 5
Mid Mid (pH 6-8) 4.66 11.3 -45.93 1 5 1 53 400.882 5

Activity (Go SEA)

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