UCSF

ZINC35698669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 No

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) 1.82 8.84 -36.38 2 4 1 42 310.468 1
Hi High (pH 8-9.5) 2.27 7.89 -43.68 1 4 0 45 309.46 1

Activity (Go SEA)

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