UCSF

ZINC43253783

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) 2.20 3.14 -49.06 5 4 1 74 330.905 5
Hi High (pH 8-9.5) 2.20 2.74 -7.93 4 4 0 72 329.897 5
Mid Mid (pH 6-8) 2.20 3.73 -33.56 5 4 1 74 330.905 5
Mid Mid (pH 6-8) 2.20 4.06 -116.05 6 4 2 75 331.913 5

Activity (Go SEA)

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