UCSF

ZINC59131082

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 15 No

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) 3.47 8.37 -99.74 3 2 2 21 214.397 7
Mid Mid (pH 6-8) 3.47 5.98 -37.04 2 2 1 20 213.389 7

Activity (Go SEA)

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