UCSF

ZINC47367380

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 24 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) 2.34 3.29 -14.04 1 7 0 83 353.396 7
Hi High (pH 8-9.5) 2.34 3.35 -52.9 0 7 -1 85 352.388 7

Activity (Go SEA)

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