UCSF

ZINC43285995

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 19 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) 1.74 1.73 -46.54 3 4 1 49 352.318 9
Hi High (pH 8-9.5) 1.74 1.42 -4.78 2 4 0 48 351.31 9
Lo Low (pH 4.5-6) 1.74 4.5 -107.81 4 4 2 51 353.326 9

Activity (Go SEA)

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