UCSF

ZINC43974765

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.61 9.91 -110.3 3 2 2 21 274.452 6
Hi High (pH 8-9.5) 3.61 6.19 -1.9 1 2 0 15 272.436 6
Mid Mid (pH 6-8) 3.61 8.78 -32.23 2 2 1 16 273.444 6
Mid Mid (pH 6-8) 3.61 7.33 -36.6 2 2 1 20 273.444 6

Activity (Go SEA)

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