UCSF

ZINC39911937

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) 5.38 10.22 -15.83 2 7 0 88 463.578 9
Hi High (pH 8-9.5) 5.15 10.54 -51.77 0 7 -1 87 462.57 9
Hi High (pH 8-9.5) 5.15 10.8 -58.94 0 7 -1 87 462.57 9
Hi High (pH 8-9.5) 5.38 11.17 -40.97 1 7 -1 91 462.57 9

Activity (Go SEA)

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