UCSF

ZINC19875765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 11 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) 2.33 4.67 -41.37 2 2 1 30 217.086 4
Hi High (pH 8-9.5) 2.33 3.24 -2.49 1 2 0 25 216.078 4

Activity (Go SEA)

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