UCSF

ZINC45658870

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.33 7.48 -102.44 4 3 2 35 269.477 5
Hi High (pH 8-9.5) 2.33 6.24 -30.73 3 3 1 34 268.469 5
Hi High (pH 8-9.5) 2.33 3.87 -40.46 3 3 1 34 268.469 5
Mid Mid (pH 6-8) 2.33 5.37 -29.65 3 3 1 34 268.469 5
Mid Mid (pH 6-8) 2.33 5.31 -123.67 4 3 2 35 269.477 5
Lo Low (pH 4.5-6) 2.33 7.87 -228.05 5 3 3 37 270.485 5
Lo Low (pH 4.5-6) 2.33 6.27 -116.91 4 3 2 35 269.477 5

Activity (Go SEA)

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