UCSF

ZINC37862779

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 13 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) -0.54 -1.41 -42.77 4 4 1 70 186.231 6
Hi High (pH 8-9.5) -0.54 -2.82 -6.46 3 4 0 66 185.223 6

Activity (Go SEA)

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