UCSF

ZINC35017952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.56 11.62 -84.83 3 2 2 21 286.463 7
Hi High (pH 8-9.5) 3.56 9.48 -37.15 2 2 1 20 285.455 7

Activity (Go SEA)

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