UCSF

ZINC16848180

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.38 11.41 -8.62 1 7 0 66 300.366 4
Lo Low (pH 4.5-6) 3.38 11.46 -24.54 2 7 1 68 301.374 4
Lo Low (pH 4.5-6) 3.38 11.74 -30.53 2 7 1 68 301.374 4

Activity (Go SEA)

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