UCSF

ZINC37820797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.24 3.36 -45.55 3 6 1 75 270.353 6
Hi High (pH 8-9.5) 2.24 2.05 -16.48 2 6 0 71 269.345 6

Activity (Go SEA)

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