UCSF

ZINC19506264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 21 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) 0.27 3.15 -52.57 4 5 1 75 287.339 5
Mid Mid (pH 6-8) 0.27 2.83 -14.85 3 5 0 74 286.331 5

Activity (Go SEA)

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