UCSF

ZINC42946467

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 2.53 4.01 -122.97 6 4 2 75 311.857 5
Hi High (pH 8-9.5) 2.53 3.71 -39.33 5 4 1 74 310.849 5
Hi High (pH 8-9.5) 2.53 2.54 -51.86 5 4 1 74 310.849 5

Activity (Go SEA)

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