UCSF

ZINC21800010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 2.97 7.51 -20.01 1 5 0 50 352.413 3
Mid Mid (pH 6-8) 2.97 9.73 -55.27 2 5 1 51 353.421 3
Mid Mid (pH 6-8) 2.97 7.92 -32.77 2 5 1 51 353.421 3
Lo Low (pH 4.5-6) 2.97 10.14 -107.88 3 5 2 53 354.429 3

Activity (Go SEA)

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