UCSF

ZINC39911784

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 6.15 11.7 -10.55 2 6 0 78 453.542 6
Hi High (pH 8-9.5) 5.92 11.96 -55.5 0 6 -1 77 452.534 6
Hi High (pH 8-9.5) 5.92 12.1 -45.43 0 6 -1 77 452.534 6
Hi High (pH 8-9.5) 6.15 12.63 -47.99 1 6 -1 81 452.534 6

Activity (Go SEA)

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