UCSF

ZINC13213578

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 36 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) 4.01 10.48 -137.76 0 9 -2 128 487.464 8
Mid Mid (pH 6-8) 4.46 8.25 -87.85 1 9 -1 125 488.472 7
Mid Mid (pH 6-8) 3.43 9.46 -71.42 0 9 -1 122 488.472 8

Activity (Go SEA)

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