UCSF

ZINC43338689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 17 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) 1.11 5.82 -29.07 3 3 1 43 234.367 3
Mid Mid (pH 6-8) 1.11 6.21 -107.85 4 3 2 45 235.375 3
Lo Low (pH 4.5-6) 1.11 4.41 -104.5 4 3 2 45 235.375 3

Activity (Go SEA)

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