UCSF

ZINC40468742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 21 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) 2.78 5.88 -11.54 1 5 0 68 324.789 5
Hi High (pH 8-9.5) 2.96 4.45 -36.9 0 5 -1 75 323.781 5

Activity (Go SEA)

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