UCSF

ZINC37850797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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 4.54 -53.38 3 4 1 59 273.356 7
Hi High (pH 8-9.5) 1.67 3.12 -9.15 2 4 0 54 272.348 7

Activity (Go SEA)

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