UCSF

ZINC42468861

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) -1.74 -0.83 -45.33 5 5 1 80 248.306 1
Mid Mid (pH 6-8) -1.74 -1.14 -7.93 4 5 0 79 247.298 1

Activity (Go SEA)

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