UCSF

ZINC49398899

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 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) 1.52 8.52 -44.28 2 5 1 51 273.36 5
Mid Mid (pH 6-8) 1.52 9.03 -78.41 3 5 2 53 274.368 5

Activity (Go SEA)

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