UCSF

ZINC62313733

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 24 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) 3.31 7.29 -16.85 1 4 0 55 343.789 5
Lo Low (pH 4.5-6) 3.31 7.76 -50.38 2 4 1 56 344.797 5

Activity (Go SEA)

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