UCSF

ZINC43799321

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -2.33 -3.43 -54.73 4 6 1 87 219.261 5
Hi High (pH 8-9.5) -2.33 -4.79 -12.77 3 6 0 82 218.253 5

Activity (Go SEA)

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