UCSF

ZINC43699932

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 12 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) -1.57 3.61 -40.1 3 4 0 71 174.244 6
Hi High (pH 8-9.5) -1.57 1.28 -41.4 2 4 -1 69 173.236 6
Mid Mid (pH 6-8) -1.57 1.99 -32.32 3 4 0 71 174.244 6
Mid Mid (pH 6-8) -1.57 3.98 -81.46 4 4 1 72 175.252 6

Activity (Go SEA)

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