UCSF

ZINC42767178

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 0.78 2.87 -37.28 4 5 1 66 231.364 8
Hi High (pH 8-9.5) 0.78 0.41 -4.72 3 5 0 65 230.356 8
Mid Mid (pH 6-8) 0.78 1.99 -38.19 4 5 1 66 231.364 8
Lo Low (pH 4.5-6) 0.78 4.31 -110.85 5 5 2 67 232.372 8

Activity (Go SEA)

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