UCSF

ZINC16524941

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 4.07 7.41 -15.21 0 4 0 41 418.868 5
Lo Low (pH 4.5-6) 4.07 9.64 -67.08 1 4 1 42 419.876 5

Activity (Go SEA)

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