UCSF

ZINC43411190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.30 4.58 -34.6 2 4 1 37 228.36 6
Hi High (pH 8-9.5) 0.30 3.67 -39.85 2 4 1 40 228.36 6
Lo Low (pH 4.5-6) 0.30 5.73 -110.61 3 4 2 41 229.368 6

Activity (Go SEA)

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