UCSF

ZINC39912031

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.90 10.18 -10.52 2 6 0 78 433.552 8
Hi High (pH 8-9.5) 5.67 10.49 -53.53 0 6 -1 77 432.544 8
Hi High (pH 8-9.5) 5.67 10.78 -54.32 0 6 -1 77 432.544 8
Hi High (pH 8-9.5) 5.90 11.13 -39.06 1 6 -1 81 432.544 8

Activity (Go SEA)

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