UCSF

ZINC39912447

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 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) 5.69 11.46 -12.61 2 5 0 69 461.924 4
Hi High (pH 8-9.5) 5.46 11.4 -51.5 0 5 -1 68 460.916 4
Hi High (pH 8-9.5) 5.46 10.78 -58.55 0 5 -1 68 460.916 4
Hi High (pH 8-9.5) 5.69 11.91 -49.42 1 5 -1 72 460.916 4

Activity (Go SEA)

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