UCSF

ZINC43894772

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 4.21 11.32 -117.75 3 2 2 21 276.468 8
Hi High (pH 8-9.5) 4.21 9.35 -34.45 2 2 1 20 275.46 8
Mid Mid (pH 6-8) 4.21 10.16 -33.82 2 2 1 16 275.46 8

Activity (Go SEA)

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