UCSF

ZINC40169589

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 26 No

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) 3.19 8.08 -14.38 1 9 0 115 356.338 6
Hi High (pH 8-9.5) 3.19 7.93 -44.51 0 9 -1 113 355.33 6

Activity (Go SEA)

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