UCSF

ZINC39696730

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 31 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) 1.27 4.3 -52.89 3 7 1 78 470.421 4
Mid Mid (pH 6-8) 1.27 6.72 -108.95 4 7 2 80 471.429 4

Activity (Go SEA)

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