UCSF

ZINC36203886

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 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) 2.65 6.17 -11.77 0 1 0 17 186.613 3
Hi High (pH 8-9.5) 2.11 5.07 -42.61 0 1 -1 23 185.605 2

Activity (Go SEA)

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