UCSF

ZINC35272579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 3.72 9.45 -38.17 2 2 1 26 290.814 6
Hi High (pH 8-9.5) 3.72 8.44 -4.38 1 2 0 21 289.806 6

Activity (Go SEA)

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