UCSF

ZINC48607091

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 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) 0.82 6.06 -12.14 1 5 0 56 259.309 6
Mid Mid (pH 6-8) 0.82 6.58 -40.86 2 5 1 57 260.317 6

Activity (Go SEA)

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