UCSF

ZINC19878402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 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) 4.89 10.69 -44.77 2 1 1 17 294.34 5
Mid Mid (pH 6-8) 4.89 9.59 -3.26 1 1 0 12 293.332 5

Activity (Go SEA)

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