UCSF

ZINC37818281

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -2.05 -2.97 -53.37 5 7 1 106 241.271 1
Hi High (pH 8-9.5) -1.87 -5.56 -73.56 4 7 0 112 240.263 1
Hi High (pH 8-9.5) -2.05 -3.23 -14.05 4 7 0 105 240.263 1
Hi High (pH 8-9.5) -1.87 -5.94 -43.1 3 7 -1 111 239.255 1

Activity (Go SEA)

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