UCSF

ZINC13680790

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 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) 2.56 4.4 -37.93 0 5 -1 73 363.418 2
Lo Low (pH 4.5-6) 2.37 6.69 -11.11 1 5 0 66 364.426 2

Activity (Go SEA)

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