UCSF

ZINC20079922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.73 5.97 -57.57 0 5 -1 59 288.352 3
Lo Low (pH 4.5-6) 2.73 6.38 -61.01 1 5 0 61 289.36 3

Activity (Go SEA)

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