UCSF

ZINC43411185

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) -0.15 -0.41 -34.32 3 4 1 49 205.322 8
Hi High (pH 8-9.5) -0.16 -1.62 -4.74 2 4 0 45 204.314 8
Mid Mid (pH 6-8) -0.15 1.65 -105.94 4 4 2 51 206.33 8
Mid Mid (pH 6-8) -0.15 0.44 -33.94 3 4 1 46 205.322 8

Activity (Go SEA)

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