UCSF

ZINC43909295

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) 4.25 10.78 -108.14 3 2 2 21 276.468 6
Mid Mid (pH 6-8) 4.25 8.63 -29.07 2 2 1 16 275.46 6
Mid Mid (pH 6-8) 4.25 10.19 -32.63 2 2 1 20 275.46 6

Activity (Go SEA)

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