UCSF

ZINC43909830

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 15 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) 2.28 7.8 -113.23 3 2 2 21 208.349 5
Hi High (pH 8-9.5) 2.28 6.66 -32.03 2 2 1 16 207.341 5
Mid Mid (pH 6-8) 2.28 5.88 -33.36 2 2 1 20 207.341 5

Activity (Go SEA)

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