UCSF

ZINC43286876

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 18 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) 2.66 5.42 -32.86 3 3 1 40 336.319 8
Hi High (pH 8-9.5) 2.66 3.58 -2.12 2 3 0 38 335.311 8
Mid Mid (pH 6-8) 2.66 4.18 -42.61 3 3 1 40 336.319 8
Mid Mid (pH 6-8) 2.66 5.72 -110.89 4 3 2 41 337.327 8

Activity (Go SEA)

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