UCSF

ZINC43973264

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.98 3.38 -36.45 2 3 1 29 217.377 8
Hi High (pH 8-9.5) 1.98 2.43 -0.94 1 3 0 24 216.369 8
Mid Mid (pH 6-8) 1.98 4.02 -26.56 2 3 1 26 217.377 8

Activity (Go SEA)

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