UCSF

ZINC41650465

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 5.06 7.73 -44.75 3 2 1 37 400.134 4
Mid Mid (pH 6-8) 5.06 6.78 -4.09 2 2 0 32 399.126 4

Activity (Go SEA)

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