UCSF

ZINC26368821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 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) 4.55 13.17 -26.66 1 6 0 72 437.565 8
Hi High (pH 8-9.5) 4.07 12.26 -69.36 0 6 -1 78 436.557 8

Activity (Go SEA)

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