UCSF

ZINC43966105

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.49 7.73 -114.96 3 4 2 40 294.439 8
Hi High (pH 8-9.5) 2.49 4.84 -4.79 1 4 0 34 292.423 8
Mid Mid (pH 6-8) 2.49 5.72 -32.5 2 4 1 38 293.431 8
Mid Mid (pH 6-8) 2.49 6.66 -36.66 2 4 1 35 293.431 8

Activity (Go SEA)

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