UCSF

ZINC17129938

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 26 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) 5.40 11.54 -48.36 0 3 -1 52 338.386 3
Mid Mid (pH 6-8) 4.84 10.98 -18.78 0 3 0 47 339.394 3

Activity (Go SEA)

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