UCSF

ZINC43435438

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 No

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) 2.69 6.08 -36.89 3 5 1 72 287.424 10
Mid Mid (pH 6-8) 2.69 4.96 -8.85 2 5 0 67 286.416 10

Activity (Go SEA)

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