UCSF

ZINC39553766

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 34 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) 2.87 7.87 -20.85 1 8 0 82 463.582 6
Lo Low (pH 4.5-6) 2.87 9.79 -54.95 2 8 1 83 464.59 6

Activity (Go SEA)

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