UCSF

ZINC39123710

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 18 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) 0.17 5.76 -233.66 0 8 -3 143 252.158 4
Lo Low (pH 4.5-6) 0.17 3.64 -110.57 1 8 -2 140 253.166 4

Activity (Go SEA)

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