UCSF

ZINC43469521

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 1.67 6.46 -43.36 2 4 1 47 245.35 6
Hi High (pH 8-9.5) 1.67 5.37 -7.92 1 4 0 43 244.342 6

Activity (Go SEA)

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