UCSF

ZINC44558849

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 2.24 6.39 -126.32 5 4 2 61 311.857 5
Hi High (pH 8-9.5) 2.24 4.67 -48.78 4 4 1 60 310.849 5
Hi High (pH 8-9.5) 2.24 5.92 -35.4 4 4 1 60 310.849 5

Activity (Go SEA)

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