UCSF

ZINC66501703

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2011 22 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) 2.39 1.47 -10.16 2 4 0 53 321.339 10
Mid Mid (pH 6-8) 2.39 3.6 -46.78 3 4 1 54 322.347 10

Activity (Go SEA)

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