UCSF

ZINC12402811

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.09 -0.88 -39.23 1 6 1 69 431.578 5
Mid Mid (pH 6-8) 3.27 -0.54 -41.66 1 6 1 69 431.578 5
Mid Mid (pH 6-8) 3.27 0.37 -40.19 1 6 1 69 431.578 5
Mid Mid (pH 6-8) 3.09 -0.47 -43.29 1 6 1 69 431.578 5

Activity (Go SEA)

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