UCSF

ZINC39387763

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 32 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) 3.37 9.67 -20.11 0 7 0 74 430.556 5
Mid Mid (pH 6-8) 3.37 10 -39.14 1 7 1 75 431.564 5
Lo Low (pH 4.5-6) 3.37 10.96 -84.61 2 7 2 77 432.572 5

Activity (Go SEA)

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