UCSF

ZINC37340029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 3.34 5.62 -7.1 0 3 0 30 326.234 4
Lo Low (pH 4.5-6) 3.34 7.75 -39.22 1 3 1 31 327.242 4

Activity (Go SEA)

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