UCSF

ZINC43285929

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 2.33 5.86 -99.56 4 3 2 35 348.354 4
Hi High (pH 8-9.5) 2.33 3.28 -1.78 2 3 0 32 346.338 4
Mid Mid (pH 6-8) 2.33 3.64 -39.7 3 3 1 34 347.346 4

Activity (Go SEA)

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