UCSF

ZINC05580265

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 26 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) 2.07 6.49 -49.33 3 6 1 89 348.382 1
Lo Low (pH 4.5-6) 2.07 6.74 -111.61 4 6 2 90 349.39 1

Activity (Go SEA)

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