UCSF

ZINC22146736

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) -0.57 4.37 -55.39 3 7 -1 118 274.256 5
Hi High (pH 8-9.5) -0.57 4.92 -137.2 2 7 -2 121 273.248 5
Mid Mid (pH 6-8) -0.57 4.89 -66.96 4 7 0 119 275.264 5
Mid Mid (pH 6-8) -0.57 4.93 -62.92 3 7 -1 118 274.256 5

Activity (Go SEA)

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