UCSF

ZINC42572909

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) -2.23 -4.99 -49.54 6 7 1 115 217.249 5
Hi High (pH 8-9.5) -2.23 -5.39 -12.37 5 7 0 113 216.241 5

Activity (Go SEA)

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