UCSF

ZINC13283861

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 14 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) 1.45 6.17 -6.9 0 2 0 26 184.242 3
Lo Low (pH 4.5-6) 1.45 6.45 -36.18 1 2 1 27 185.25 3
Lo Low (pH 4.5-6) 1.45 6.72 -80.92 2 2 2 28 186.258 3

Activity (Go SEA)

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