UCSF

ZINC37854732

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.77 -1.84 -43.91 3 5 1 59 233.332 8
Hi High (pH 8-9.5) -0.77 -3.25 -5.59 2 5 0 54 232.324 8
Mid Mid (pH 6-8) -0.77 0.47 -107.55 4 5 2 60 234.34 8

Activity (Go SEA)

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