UCSF

ZINC36639746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 No

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) 5.78 12.85 -20.52 1 7 0 101 453.907 5
Hi High (pH 8-9.5) 5.85 11.44 -54.27 0 7 -1 107 452.899 5

Activity (Go SEA)

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