UCSF

ZINC11818088

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 25 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) 2.01 -4.56 -18.7 3 7 0 100 338.367 5
Lo Low (pH 4.5-6) 2.01 -3.96 -49.47 4 7 1 101 339.375 5

Activity (Go SEA)

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