UCSF

ZINC37864373

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.93 9.09 -37.54 2 2 1 16 297.413 7
Mid Mid (pH 6-8) 3.93 10.45 -110.37 3 2 2 21 298.421 7

Activity (Go SEA)

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