UCSF

ZINC39308743

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 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) 2.25 7.56 -10.52 0 6 0 69 329.352 6
Lo Low (pH 4.5-6) 2.25 9.82 -42.33 1 6 1 70 330.36 6

Activity (Go SEA)

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