UCSF

ZINC39228337

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 31 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) 2.84 6.91 -42.36 4 6 1 79 424.565 3
Hi High (pH 8-9.5) 2.84 4.79 -12.47 3 6 0 78 423.557 3

Activity (Go SEA)

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