UCSF

ZINC25451989

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 3.14 6.8 -45.98 0 7 -1 87 400.842 7
Lo Low (pH 4.5-6) 3.14 5.69 -18.37 1 7 0 85 401.85 7

Activity (Go SEA)

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