UCSF

ZINC43446561

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.48 7.98 -32.43 2 3 1 43 230.372 7
Hi High (pH 8-9.5) 3.48 7.55 -3.81 1 3 0 38 229.364 7

Activity (Go SEA)

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