UCSF

ZINC26844840

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 34 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) 8.44 21.47 -104.32 2 2 2 9 462.766 12
Hi High (pH 8-9.5) 8.44 19.59 -39.39 1 2 1 8 461.758 12

Activity (Go SEA)

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