UCSF

ZINC39696700

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 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) -0.36 2.42 -64.41 3 10 1 106 491.609 7
Mid Mid (pH 6-8) -0.36 4.85 -119.7 4 10 2 107 492.617 7

Activity (Go SEA)

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