UCSF

ZINC21501698

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 20 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) 5.65 7.75 -2.36 2 1 0 26 357.014 2
Lo Low (pH 4.5-6) 5.65 8.1 -42.56 3 1 1 28 358.022 2

Activity (Go SEA)

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