UCSF

ZINC60220921

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 32 No

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) 1.37 3.89 -119.99 8 10 2 158 450.584 10
Mid Mid (pH 6-8) 1.37 5.04 -217.24 9 10 3 163 451.592 10

Activity (Go SEA)

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