UCSF

ZINC42367926

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 17 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) 2.67 8.22 -101.18 3 2 2 21 260.784 7
Hi High (pH 8-9.5) 2.67 6.87 -28.18 2 2 1 16 259.776 7
Hi High (pH 8-9.5) 2.67 4.79 -2.88 1 2 0 15 258.768 7
Mid Mid (pH 6-8) 2.67 6.15 -34.92 2 2 1 20 259.776 7

Activity (Go SEA)

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