UCSF

ZINC43248254

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 0.14 -0.94 -99.82 6 4 2 73 260.403 7
Hi High (pH 8-9.5) 0.14 -2.94 -5.1 4 4 0 70 258.387 7
Mid Mid (pH 6-8) 0.14 -2.62 -40.54 5 4 1 71 259.395 7

Activity (Go SEA)

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