UCSF

ZINC57872708

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 20 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) 2.88 8.49 -51.93 1 4 1 47 340.241 4
Mid Mid (pH 6-8) 2.88 6.43 -11.29 0 4 0 45 339.233 4

Activity (Go SEA)

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