UCSF

ZINC21264650

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 19 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) 2.00 2.17 -50.17 4 5 1 79 280.373 5
Mid Mid (pH 6-8) 1.82 1.1 -38 3 5 0 85 279.365 5

Activity (Go SEA)

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