UCSF

ZINC43966537

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 24 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) 2.87 10.41 -47.76 2 6 1 79 348.81 6
Hi High (pH 8-9.5) 2.87 7.94 -13.12 1 6 0 78 347.802 6

Activity (Go SEA)

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