UCSF

ZINC20268280

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 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) 1.38 5.9 -124.31 3 2 2 21 196.269 1
Hi High (pH 8-9.5) 1.38 2.44 -2.61 1 2 0 15 194.253 1
Mid Mid (pH 6-8) 1.38 3.86 -45.07 2 2 1 20 195.261 1

Activity (Go SEA)

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