UCSF

ZINC41197361

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 No

Download: MOL2 SDF SMILES Flexibase

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) 3.29 7.34 -33.41 2 2 1 29 285.502 4
Mid Mid (pH 6-8) 3.29 6.46 -3.87 1 2 0 25 284.494 4

Activity (Go SEA)

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