UCSF

ZINC43968570

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.94 7.28 -102.84 3 3 2 30 266.429 9
Hi High (pH 8-9.5) 2.94 5.58 -40.48 2 3 1 29 265.421 9
Hi High (pH 8-9.5) 2.94 3.99 -2.27 1 3 0 24 264.413 9
Mid Mid (pH 6-8) 2.94 5.64 -26.06 2 3 1 26 265.421 9

Activity (Go SEA)

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