UCSF

ZINC43248203

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) 2.46 6.31 -44.12 3 3 1 44 304.483 7
Hi High (pH 8-9.5) 2.46 5.34 -4.62 2 3 0 42 303.475 7
Mid Mid (pH 6-8) 2.46 6.45 -94.34 4 3 2 45 305.491 7

Activity (Go SEA)

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