UCSF

ZINC43904706

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 14 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) 2.37 7.47 -98.75 3 2 2 21 200.37 6
Hi High (pH 8-9.5) 2.37 5.54 -33.7 2 2 1 20 199.362 6
Hi High (pH 8-9.5) 2.37 6.44 -27.75 2 2 1 16 199.362 6

Activity (Go SEA)

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