UCSF

ZINC43252938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.51 2.98 -48.42 4 3 1 51 303.879 5
Hi High (pH 8-9.5) 2.51 1.94 -3.21 3 3 0 49 302.871 5
Mid Mid (pH 6-8) 2.51 4.36 -34.42 4 3 1 51 303.879 5
Mid Mid (pH 6-8) 2.51 4.69 -122.91 5 3 2 52 304.887 5

Activity (Go SEA)

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