UCSF

ZINC22794620

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 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) 1.99 9.41 -116.51 2 6 1 55 415.602 7
Hi High (pH 8-9.5) 1.99 9.48 -88.46 2 6 1 55 415.602 7
Mid Mid (pH 6-8) 1.99 10.68 -87.26 2 6 1 55 415.602 7
Lo Low (pH 4.5-6) 1.99 11.76 -166.4 3 6 2 57 416.61 7
Lo Low (pH 4.5-6) 1.99 12.92 -161.49 3 6 2 57 416.61 7

Activity (Go SEA)

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