UCSF

ZINC42806850

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 42 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) 7.35 9.56 -16.43 4 7 0 116 570.682 12
Hi High (pH 8-9.5) 7.35 11.03 -119.34 2 7 -2 122 568.666 12
Hi High (pH 8-9.5) 7.35 10.28 -38.83 3 7 -1 119 569.674 12
Mid Mid (pH 6-8) 7.35 10.25 -46.31 3 7 -1 119 569.674 12

Activity (Go SEA)

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