UCSF

ZINC39302254

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 3.14 8.91 -54.04 2 5 1 59 395.552 5
Hi High (pH 8-9.5) 3.14 6.66 -14.77 1 5 0 58 394.544 5

Activity (Go SEA)

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