UCSF

ZINC40788160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 26 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) 2.93 9.57 -12.41 1 5 0 60 345.402 5
Lo Low (pH 4.5-6) 2.93 10.03 -48.36 2 5 1 61 346.41 5

Activity (Go SEA)

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