UCSF

ZINC43285984

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 20 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) 3.69 7.68 -44.78 3 2 1 31 354.337 7
Hi High (pH 8-9.5) 3.69 6.93 -3.16 2 2 0 29 353.329 7
Mid Mid (pH 6-8) 3.69 8.89 -39.66 3 2 1 30 354.337 7
Lo Low (pH 4.5-6) 3.69 9.27 -126.67 4 2 2 32 355.345 7

Activity (Go SEA)

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