UCSF

ZINC39228439

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) 2.46 6.34 -45.18 4 6 1 81 424.565 2
Hi High (pH 8-9.5) 2.46 4.21 -13.46 3 6 0 80 423.557 2

Activity (Go SEA)

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