UCSF

ZINC43895593

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 2.48 7.07 -28.08 2 4 1 35 285.452 5
Hi High (pH 8-9.5) 2.48 5.27 -2.11 1 4 0 34 284.444 5
Mid Mid (pH 6-8) 2.48 5.43 -2.37 2 4 0 38 285.452 5

Activity (Go SEA)

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