UCSF

ZINC09969106

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 35 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) 5.42 14.97 -45.46 2 6 0 80 470.569 11
Hi High (pH 8-9.5) 5.42 13.61 -55.45 1 6 -1 76 469.561 11

Activity (Go SEA)

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