UCSF

ZINC36997681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 4.18 9.74 -31.72 2 2 1 16 295.878 6
Mid Mid (pH 6-8) 4.18 8.49 -36.72 2 2 1 20 295.878 6
Lo Low (pH 4.5-6) 4.18 10.72 -101.04 3 2 2 21 296.886 6

Activity (Go SEA)

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