UCSF

ZINC20560170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) -1.78 0.17 -117.16 1 6 -2 104 303.192 2
Lo Low (pH 4.5-6) -1.78 -0.54 -53.2 2 6 -1 101 304.2 2

Activity (Go SEA)

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