UCSF

ZINC27419660

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 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) 1.39 6.63 -86.38 2 5 2 43 294.424 3
Hi High (pH 8-9.5) 1.39 4.2 -33.06 1 5 1 42 293.416 3
Hi High (pH 8-9.5) 1.39 4.37 -10.36 0 5 0 41 292.408 3
Mid Mid (pH 6-8) 1.39 6.76 -42.91 1 5 1 42 293.416 3

Activity (Go SEA)

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