UCSF

ZINC43543913

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 23 No

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) 7.37 8.14 -9.57 3 4 0 72 348.597 18
Hi High (pH 8-9.5) 7.37 7.8 -38.04 2 4 -1 74 347.589 18

Activity (Go SEA)

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