UCSF

ZINC43454935

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 3.44 5.45 -37.84 2 2 1 20 213.389 7
Hi High (pH 8-9.5) 3.44 4.28 -0.83 1 2 0 15 212.381 7
Mid Mid (pH 6-8) 3.44 6.9 -31.6 2 2 1 16 213.389 7
Lo Low (pH 4.5-6) 3.44 8.07 -108.37 3 2 2 21 214.397 7

Activity (Go SEA)

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