UCSF

ZINC33748311

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 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) 3.83 9.39 -24.36 2 8 0 101 527.474 10
Hi High (pH 8-9.5) 3.65 8.32 -50.84 1 8 -1 107 526.466 10

Activity (Go SEA)

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