UCSF

ZINC67490804

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 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) 3.12 8.3 -44.34 1 4 1 50 282.367 4
Hi High (pH 8-9.5) 3.12 5.83 -9.43 0 4 0 49 281.359 4

Activity (Go SEA)

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