UCSF

ZINC13832259

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 36 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) 5.87 11.61 -42.94 0 9 -1 106 481.536 10
Mid Mid (pH 6-8) 5.87 12.62 -48.32 1 9 0 107 482.544 10
Lo Low (pH 4.5-6) 5.87 12.7 -30.99 2 9 1 109 483.552 10

Activity (Go SEA)

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