UCSF

ZINC38789028

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 6.56 17.19 -52.25 0 2 -1 40 319.424 5
Lo Low (pH 4.5-6) 6.56 15.21 -14.33 1 2 0 37 320.432 5

Activity (Go SEA)

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