UCSF

ZINC21218319

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 27 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) 2.78 7.63 -18.89 1 6 0 77 358.401 3
Lo Low (pH 4.5-6) 2.78 8.08 -57.29 2 6 1 78 359.409 3

Activity (Go SEA)

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