UCSF

ZINC26561966

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 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) 2.48 6.21 -16.4 2 7 0 97 364.471 8
Hi High (pH 8-9.5) 2.66 5.14 -45.4 1 7 -1 103 363.463 8

Activity (Go SEA)

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