UCSF

ZINC04164965

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 20 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) 3.55 12.48 -6.36 0 2 0 18 260.34 3
Mid Mid (pH 6-8) 3.55 12.98 -32.81 1 2 1 19 261.348 3

Activity (Go SEA)

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