UCSF

ZINC27673564

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 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) 2.56 5.85 -9.56 1 4 0 42 328.387 5
Lo Low (pH 4.5-6) 2.56 8.21 -49.2 2 4 1 43 329.395 5

Activity (Go SEA)

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