UCSF

ZINC37840380

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.54 0.76 -12.73 1 6 0 79 274.342 6
Hi High (pH 8-9.5) 0.99 -1.14 -45.51 0 6 -1 83 273.334 6

Activity (Go SEA)

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