UCSF

ZINC41247223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.83 2.35 -44.48 3 3 1 40 227.303 6
Lo Low (pH 4.5-6) 0.83 4.85 -114.87 4 3 2 41 228.311 6

Activity (Go SEA)

Rings

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