UCSF

ZINC44683887

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 2.46 6.57 -39.63 2 2 1 20 231.363 4
Hi High (pH 8-9.5) 2.46 5.37 -2.1 1 2 0 15 230.355 4
Mid Mid (pH 6-8) 2.46 7.78 -31.39 2 2 1 16 231.363 4
Lo Low (pH 4.5-6) 2.46 8.97 -110.4 3 2 2 21 232.371 4

Activity (Go SEA)

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