UCSF

ZINC39227139

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) 4.36 13.32 -47.97 1 4 1 55 383.471 2
Hi High (pH 8-9.5) 4.36 11.09 -12.35 0 4 0 53 382.463 2

Activity (Go SEA)

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