UCSF

ZINC44517817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 3.37 9.9 -74.61 3 3 2 21 295.515 6
Mid Mid (pH 6-8) 3.37 8.71 -97.22 3 3 2 24 295.515 6
Lo Low (pH 4.5-6) 3.37 10.96 -177.93 4 3 3 25 296.523 6

Activity (Go SEA)

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