UCSF

ZINC41586552

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 Yes

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) 4.87 11.2 -46.46 2 9 1 113 483.541 11
Hi High (pH 8-9.5) 4.87 9.72 -47.53 0 9 -1 114 481.525 11
Mid Mid (pH 6-8) 4.87 11.96 -28.58 1 9 0 115 482.533 11
Mid Mid (pH 6-8) 4.87 8.97 -15.39 1 9 0 111 482.533 11

Activity (Go SEA)

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