UCSF

ZINC43253408

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 4.47 8.95 -125.69 4 2 2 32 351.368 6
Hi High (pH 8-9.5) 4.47 6.41 -2.22 2 2 0 29 349.352 6
Mid Mid (pH 6-8) 4.47 8.66 -38.98 3 2 1 30 350.36 6
Mid Mid (pH 6-8) 4.47 7.1 -47.78 3 2 1 31 350.36 6

Activity (Go SEA)

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