UCSF

ZINC41313787

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 22 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) 2.77 8.2 -43.87 1 4 1 28 310.506 5
Hi High (pH 8-9.5) 2.77 5.73 -6.41 0 4 0 27 309.498 5
Lo Low (pH 4.5-6) 2.77 10.25 -119.94 2 4 2 29 311.514 5

Activity (Go SEA)

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