UCSF

ZINC43704088

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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) -0.22 4.48 -49.14 1 5 0 63 203.238 5
Mid Mid (pH 6-8) -0.22 2.14 -47.72 0 5 -1 62 202.23 5

Activity (Go SEA)

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