UCSF

ZINC04167712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 25 No

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) 4.75 -2.03 -11.86 0 3 0 46 394.268 2
Mid Mid (pH 6-8) 4.48 -1.99 -15.85 0 3 0 46 394.268 2

Activity (Go SEA)

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