UCSF

ZINC22454529

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 25 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) 3.49 6.83 -98.06 5 4 2 56 349.563 6
Mid Mid (pH 6-8) 3.49 4.5 -45.35 4 4 1 54 348.555 6
Lo Low (pH 4.5-6) 3.49 6.56 -117.3 5 4 2 56 349.563 6

Activity (Go SEA)

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