UCSF

ZINC22342927

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 18 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) 1.68 6.59 -124.67 0 5 -2 89 250.25 7
Mid Mid (pH 6-8) 1.68 5.47 -56.97 1 5 -1 87 251.258 7
Lo Low (pH 4.5-6) 1.68 5.46 -55.33 1 5 -1 87 251.258 7

Activity (Go SEA)

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