UCSF

ZINC39914146

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 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) 3.66 6.09 -15.26 2 9 0 106 501.967 9
Mid Mid (pH 6-8) 3.66 6.86 -51.05 1 9 -1 109 500.959 9

Activity (Go SEA)

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