UCSF

ZINC26368773

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 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) 3.06 6.45 -15.16 3 5 0 70 359.857 6
Mid Mid (pH 6-8) 3.06 7.2 -50.76 4 5 1 75 360.865 6

Activity (Go SEA)

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