UCSF

ZINC43703999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 0.41 5.4 -47.66 1 6 0 66 286.372 5
Mid Mid (pH 6-8) 0.41 3.07 -47.37 0 6 -1 65 285.364 5
Mid Mid (pH 6-8) 0.41 5.09 -70.59 1 6 0 66 286.372 5
Lo Low (pH 4.5-6) 0.41 7.43 -102.72 2 6 1 67 287.38 5

Activity (Go SEA)

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