UCSF

ZINC26227746

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 1.19 5.19 -40.71 2 6 1 76 292.359 9
Hi High (pH 8-9.5) 1.19 2.86 -12.6 1 6 0 75 291.351 9

Activity (Go SEA)

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