UCSF

ZINC09730623

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2007 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.83 -1.33 -11.71 0 6 0 74 479.598 7
Mid Mid (pH 6-8) 5.01 -1.33 -11.65 0 6 0 74 479.598 7
Mid Mid (pH 6-8) 5.01 0.12 -20.51 0 6 0 74 479.598 7
Mid Mid (pH 6-8) 4.83 -1.28 -13.74 0 6 0 74 479.598 7

Activity (Go SEA)

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