UCSF

ZINC71923691

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2012 21 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) 3.14 5.83 -10.22 1 4 0 60 282.295 3
Hi High (pH 8-9.5) 3.14 6.61 -46.07 0 4 -1 63 281.287 3

Activity (Go SEA)

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