UCSF

ZINC00661539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 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) 5.34 8.42 -14.26 3 5 0 77 443.45 5
Mid Mid (pH 6-8) 5.34 8.72 -37.32 4 5 1 78 444.458 5

Activity (Go SEA)

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