UCSF

ZINC31910306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.20 9 -38.94 3 4 1 48 295.41 5
Mid Mid (pH 6-8) 3.20 6.73 -11.54 2 4 0 47 294.402 5
Lo Low (pH 4.5-6) 3.20 9.42 -85.25 4 4 2 49 296.418 5

Activity (Go SEA)

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