UCSF

ZINC21664759

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 3.75 7.86 -11.61 1 6 0 59 416.934 5
Lo Low (pH 4.5-6) 3.75 8.3 -38.2 2 6 1 61 417.942 5

Activity (Go SEA)

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