UCSF

ZINC51999543

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 14 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) 3.12 6.66 -2.64 0 1 0 3 209.72 5
Mid Mid (pH 6-8) 3.12 9.02 -36.52 1 1 1 4 210.728 5

Activity (Go SEA)

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