UCSF

ZINC43894295

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 Yes

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) 3.08 7.05 -34.33 2 3 1 33 290.475 5
Hi High (pH 8-9.5) 3.08 8.1 -34.74 2 3 1 29 290.475 5
Mid Mid (pH 6-8) 3.08 7.76 -86.41 3 3 2 34 291.483 5

Activity (Go SEA)

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