UCSF

ZINC19845253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 2.23 5.34 -42.06 0 4 -1 56 239.682 2
Lo Low (pH 4.5-6) 2.23 5.77 -37.41 1 4 0 58 240.69 2

Activity (Go SEA)

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