UCSF

ZINC43915179

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.46 8.35 -107.86 3 3 2 30 264.413 5
Hi High (pH 8-9.5) 2.46 4.96 -3.19 1 3 0 24 262.397 5
Hi High (pH 8-9.5) 2.46 5.18 -35.31 2 3 1 29 263.405 5
Mid Mid (pH 6-8) 2.46 6.98 -30.68 2 3 1 26 263.405 5

Activity (Go SEA)

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