UCSF

ZINC37857491

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 33 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) 2.74 5.79 -48.6 3 8 1 105 453.515 7
Hi High (pH 8-9.5) 2.74 4.09 -48.07 1 8 -1 106 451.499 7
Mid Mid (pH 6-8) 2.74 3.52 -13.61 2 8 0 103 452.507 7
Mid Mid (pH 6-8) 2.74 6.35 -35.71 2 8 0 107 452.507 7

Activity (Go SEA)

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