UCSF

ZINC47998366

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 20 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) 0.43 3.83 -13.39 2 6 0 95 286.316 4
Mid Mid (pH 6-8) 0.62 3.25 -45.83 1 6 -1 101 285.308 4

Activity (Go SEA)

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