UCSF

ZINC20362647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.05 2.39 -42.13 3 6 1 66 275.332 2
Hi High (pH 8-9.5) 0.05 0.17 -11.75 2 6 0 65 274.324 2
Hi High (pH 8-9.5) 0.05 1.59 -47.92 3 6 1 69 275.332 2
Lo Low (pH 4.5-6) 0.05 3.79 -123.9 4 6 2 70 276.34 2

Activity (Go SEA)

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