UCSF

ZINC17013453

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.05 -6.2 -22.79 7 10 0 166 282.26 2
Lo Low (pH 4.5-6) -2.31 -5.24 -87.76 9 10 2 169 284.276 2
Lo Low (pH 4.5-6) -2.31 -9.62 -89.87 9 10 2 169 284.276 2
Lo Low (pH 4.5-6) -1.05 -5.74 -43.63 8 10 1 167 283.268 2

Activity (Go SEA)

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