UCSF

ZINC19952651

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 14 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) -0.47 -2.25 -30.35 5 5 1 84 198.246 5
Mid Mid (pH 6-8) -0.47 -2.73 -7.66 4 5 0 83 197.238 5

Activity (Go SEA)

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