UCSF

ZINC43411192

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 2.21 4.72 -38.19 4 3 1 42 226.319 4
Hi High (pH 8-9.5) 2.21 2.35 -3.05 3 3 0 41 225.311 4

Activity (Go SEA)

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