UCSF

ZINC39689009

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 34 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) -1.24 6.05 -121.62 4 10 2 110 469.59 5
Mid Mid (pH 6-8) -1.24 5.59 -81.01 3 10 1 109 468.582 5
Lo Low (pH 4.5-6) -1.24 6.37 -172.31 5 10 3 112 470.598 5

Activity (Go SEA)

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