UCSF

ZINC43253800

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 2.33 3.08 -50.1 5 4 1 74 330.905 6
Hi High (pH 8-9.5) 2.33 2.8 -7.72 4 4 0 72 329.897 6
Mid Mid (pH 6-8) 2.33 4.5 -39.33 5 4 1 74 330.905 6
Mid Mid (pH 6-8) 2.33 4.79 -123.29 6 4 2 75 331.913 6

Activity (Go SEA)

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