UCSF

ZINC35785396

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 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) 2.35 6.17 -38.06 3 3 1 46 247.362 4
Mid Mid (pH 6-8) 2.35 4.79 -8.32 2 3 0 41 246.354 4

Activity (Go SEA)

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