UCSF

ZINC43793954

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 25 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) 0.72 8.63 -12.7 1 7 0 98 360.439 7
Hi High (pH 8-9.5) 1.17 6.09 -54.01 0 7 -1 101 359.431 7

Activity (Go SEA)

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