UCSF

ZINC57945556

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 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) 2.23 1.63 -12.01 2 6 0 65 369.893 8
Mid Mid (pH 6-8) 2.23 3.93 -45.8 3 6 1 66 370.901 8

Activity (Go SEA)

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