UCSF

ZINC43813738

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 2.01 6.34 -105.49 3 2 2 21 174.332 6
Hi High (pH 8-9.5) 2.01 5.25 -27.37 2 2 1 16 173.324 6
Mid Mid (pH 6-8) 2.01 4.44 -30.79 2 2 1 20 173.324 6

Activity (Go SEA)

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