UCSF

ZINC33716791

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 20 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) 0.78 4.23 -55.55 4 4 1 70 294.444 6
Hi High (pH 8-9.5) 0.78 3.92 -7.4 3 4 0 68 293.436 6

Activity (Go SEA)

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