UCSF

ZINC30944857

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 34 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) 2.13 8.65 -21.25 1 8 0 88 481.622 9
Mid Mid (pH 6-8) 2.13 10.97 -66.83 2 8 1 89 482.63 9
Mid Mid (pH 6-8) 2.13 9.13 -50.06 2 8 1 89 482.63 9
Mid Mid (pH 6-8) 2.13 11.46 -105.38 3 8 2 90 483.638 9

Activity (Go SEA)

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