UCSF

ZINC39680817

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 31 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) 1.38 7.26 -71.21 3 7 1 88 423.537 5
Lo Low (pH 4.5-6) 1.38 7.72 -124.36 4 7 2 89 424.545 5

Activity (Go SEA)

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