UCSF

ZINC35469877

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 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) 4.63 9.63 -17.18 2 6 0 67 469.585 9
Mid Mid (pH 6-8) 4.63 11.89 -50.74 3 6 1 68 470.593 9

Activity (Go SEA)

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