UCSF

ZINC13208306

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 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) 3.70 5.63 -8.36 0 2 0 26 214.655 0
Lo Low (pH 4.5-6) 3.70 5.88 -31.07 1 2 1 27 215.663 0

Activity (Go SEA)

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