UCSF

ZINC43972662

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.58 8.26 -128.65 3 4 2 40 294.439 7
Hi High (pH 8-9.5) 3.58 6.8 -42.66 2 4 1 38 293.431 7
Mid Mid (pH 6-8) 3.58 7.17 -37.52 2 4 1 35 293.431 7

Activity (Go SEA)

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