UCSF

ZINC42448041

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.21 2.98 -110.96 4 4 2 48 251.374 4
Hi High (pH 8-9.5) 0.21 0.55 -43.27 3 4 1 47 250.366 4
Hi High (pH 8-9.5) 0.21 2.64 -36.19 3 4 1 47 250.366 4

Activity (Go SEA)

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