UCSF

ZINC38543935

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 28 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) 3.89 12.75 -37.61 1 4 1 38 368.46 2
Mid Mid (pH 6-8) 3.89 12.44 -13.29 0 4 0 36 367.452 2

Activity (Go SEA)

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