UCSF

ZINC21801881

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 13 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) -1.38 5.58 -90.05 2 4 1 49 187.263 2
Mid Mid (pH 6-8) -1.38 3.57 -32.3 1 4 0 48 186.255 2
Lo Low (pH 4.5-6) -1.38 4.6 -56.48 1 4 0 48 186.255 2

Activity (Go SEA)

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