UCSF

ZINC39911627

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 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) 4.18 7.79 -9.47 2 6 0 78 411.889 5
Hi High (pH 8-9.5) 3.95 7.59 -54.91 0 6 -1 77 410.881 5
Hi High (pH 8-9.5) 3.95 8.33 -54.66 0 6 -1 77 410.881 5
Hi High (pH 8-9.5) 4.18 8.62 -46.08 1 6 -1 81 410.881 5

Activity (Go SEA)

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