UCSF

ZINC33820839

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 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) 6.20 13.96 -44.23 0 2 -1 40 357.558 4
Lo Low (pH 4.5-6) 6.20 11.98 -4.85 1 2 0 37 358.566 4

Activity (Go SEA)

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