UCSF

ZINC22931654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.34 10.12 -36.63 1 4 1 30 354.518 9
Hi High (pH 8-9.5) 3.34 7.89 -5.43 0 4 0 29 353.51 9
Mid Mid (pH 6-8) 3.34 10.33 -39.68 1 4 1 30 354.518 9
Lo Low (pH 4.5-6) 3.34 10.8 -87.6 2 4 2 31 355.526 9

Activity (Go SEA)

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