UCSF

ZINC41584847

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 4.60 11.56 -44.33 2 5 1 58 441.551 5
Hi High (pH 8-9.5) 4.60 9.83 -43.06 0 5 -1 60 439.535 5
Mid Mid (pH 6-8) 4.60 11.52 -45.45 2 5 1 58 441.551 5
Mid Mid (pH 6-8) 4.60 12.13 -28.5 1 5 0 61 440.543 5
Mid Mid (pH 6-8) 4.60 9.27 -8.89 1 5 0 57 440.543 5

Activity (Go SEA)

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