UCSF

ZINC39230482

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 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) 1.67 7.74 -39.88 3 6 1 73 395.527 4
Hi High (pH 8-9.5) 1.67 6.49 -9.9 2 6 0 69 394.519 4

Activity (Go SEA)

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