UCSF

ZINC61757895

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 26 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) 2.23 8.98 -63.8 2 6 2 44 348.454 4
Hi High (pH 8-9.5) 2.23 8.4 -17.18 0 6 0 41 346.438 4
Mid Mid (pH 6-8) 2.23 8.54 -33.63 1 6 1 42 347.446 4
Lo Low (pH 4.5-6) 2.23 10.79 -81.89 2 6 2 44 348.454 4

Activity (Go SEA)

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