UCSF

ZINC39911923

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) 5.89 10.2 -10.32 2 6 0 78 433.552 8
Hi High (pH 8-9.5) 5.66 10.5 -53.34 0 6 -1 77 432.544 8
Hi High (pH 8-9.5) 5.66 10.8 -54.28 0 6 -1 77 432.544 8
Hi High (pH 8-9.5) 5.89 11.15 -39 1 6 -1 81 432.544 8

Activity (Go SEA)

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