UCSF

ZINC39927805

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 15 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) 2.40 4.57 -6.36 1 2 0 33 199.253 2
Lo Low (pH 4.5-6) 2.40 4.53 -26.98 2 2 1 34 200.261 2

Activity (Go SEA)

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