UCSF

ZINC42448671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) -0.12 2.86 -39.66 2 5 1 59 239.295 4
Hi High (pH 8-9.5) -0.12 1.51 -9.46 1 5 0 55 238.287 4

Activity (Go SEA)

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