UCSF

ZINC16568224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 33 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) 5.35 13.92 -14.44 1 4 0 55 429.523 6
Lo Low (pH 4.5-6) 5.35 14.2 -53.56 2 4 1 56 430.531 6

Activity (Go SEA)

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