UCSF

ZINC39323947

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 1.45 5.76 -18.78 2 10 0 138 482.566 7
Mid Mid (pH 6-8) 1.45 8.11 -60.62 3 10 1 139 483.574 7

Activity (Go SEA)

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