UCSF

ZINC20940070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 0.55 3.72 -12.88 0 6 0 51 320.389 4
Lo Low (pH 4.5-6) 0.55 5.92 -46.91 1 6 1 52 321.397 4

Activity (Go SEA)

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