UCSF

ZINC26834156

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 17 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) 2.47 8 -38.95 2 2 1 20 227.331 0
Hi High (pH 8-9.5) 2.47 5.67 -6.09 1 2 0 19 226.323 0

Activity (Go SEA)

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