UCSF

ZINC12460078

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 28 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) 3.41 8.87 -38.76 2 6 1 73 386.447 6
Lo Low (pH 4.5-6) 3.41 9.14 -82.7 3 6 2 74 387.455 6

Activity (Go SEA)

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