UCSF

ZINC14237900

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 25 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) 2.97 4.95 -17.91 4 6 0 87 338.411 4
Lo Low (pH 4.5-6) 2.97 5.58 -44.15 5 6 1 89 339.419 4

Activity (Go SEA)

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