UCSF

ZINC41719024

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 0.32 2.96 -53.78 4 6 0 109 245.238 4
Hi High (pH 8-9.5) 0.32 2.55 -66.34 3 6 -1 108 244.23 4

Activity (Go SEA)

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