UCSF

ZINC39227569

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 33 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) 3.18 11.64 -48.55 1 6 1 60 449.571 4
Hi High (pH 8-9.5) 3.18 9.26 -12.31 0 6 0 59 448.563 4

Activity (Go SEA)

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