UCSF

ZINC51254765

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.51 11.47 -54.39 1 6 1 69 343.403 8
Mid Mid (pH 6-8) 3.51 9.16 -10.77 0 6 0 68 342.395 8

Activity (Go SEA)

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