UCSF

ZINC38757269

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 34 Yes

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) 3.89 7.2 -52.15 1 8 -1 115 519.024 7
Hi High (pH 8-9.5) 3.89 7.33 -106.9 0 8 -2 117 518.016 7
Mid Mid (pH 6-8) 3.89 7.2 -52.43 1 8 -1 115 519.024 7
Mid Mid (pH 6-8) 3.89 7.22 -18.39 2 8 0 113 520.032 7

Activity (Go SEA)

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