UCSF

ZINC41211859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 3.17 7.74 -10.71 1 5 0 60 334.423 5
Lo Low (pH 4.5-6) 3.17 8.21 -40.48 2 5 1 61 335.431 5

Activity (Go SEA)

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