UCSF

ZINC43286313

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 17 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) 0.50 -0.89 -109.84 6 4 2 73 325.272 7
Hi High (pH 8-9.5) 0.50 -2.52 -4.75 4 4 0 70 323.256 7
Mid Mid (pH 6-8) 0.50 -2.54 -39 5 4 1 71 324.264 7

Activity (Go SEA)

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