UCSF

ZINC43251998

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 3.99 8.83 -117.65 4 2 2 32 302.915 4
Hi High (pH 8-9.5) 3.99 6.52 -0.71 2 2 0 29 300.899 4
Mid Mid (pH 6-8) 3.99 8.39 -30.76 3 2 1 30 301.907 4
Mid Mid (pH 6-8) 3.99 6.86 -37.94 3 2 1 31 301.907 4

Activity (Go SEA)

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