UCSF

ZINC36634449

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 23 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) -1.45 -0.67 -16.47 1 9 0 103 346.409 5
Mid Mid (pH 6-8) -1.45 1.59 -47.15 2 9 1 104 347.417 5

Activity (Go SEA)

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