UCSF

ZINC20661999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.32 5.88 -10.91 1 7 0 70 372.86 4
Mid Mid (pH 6-8) 2.32 8.25 -47.28 2 7 1 72 373.868 4

Activity (Go SEA)

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