UCSF

ZINC21792112

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.79 9.55 -45.86 2 2 1 26 290.814 6
Hi High (pH 8-9.5) 3.79 8.49 -4.37 1 2 0 21 289.806 6

Activity (Go SEA)

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