UCSF

ZINC42781908

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.72 7.86 -36.77 2 3 1 20 276.448 7
Mid Mid (pH 6-8) 2.72 6.91 -34.32 2 3 1 20 276.448 7
Lo Low (pH 4.5-6) 2.72 9.38 -112.58 3 3 2 21 277.456 7

Activity (Go SEA)

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