UCSF

ZINC31350487

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 11 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) -3.23 -3.86 -86.83 7 5 1 116 163.197 5
Hi High (pH 8-9.5) -3.23 -3.32 -60.22 6 5 0 118 162.189 5

Activity (Go SEA)

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