UCSF

ZINC41681353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.85 5.52 -44.13 3 4 1 54 271.768 6
Hi High (pH 8-9.5) 2.85 6.53 -73.41 2 4 0 57 270.76 6

Activity (Go SEA)

Rings

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