UCSF

ZINC41362533

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 21 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) 2.25 6.4 -41.72 2 4 1 37 310.849 6
Hi High (pH 8-9.5) 2.25 6.28 -45.1 2 4 1 37 310.849 6
Hi High (pH 8-9.5) 2.25 4.03 -10.49 1 4 0 36 309.841 6

Activity (Go SEA)

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