UCSF

ZINC39261764

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 3.33 10.9 -49.32 3 5 1 59 386.56 8
Hi High (pH 8-9.5) 3.33 9.08 -10.18 2 5 0 57 385.552 8

Activity (Go SEA)

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