UCSF

ZINC41585440

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.69 9.36 -10.57 1 6 0 66 460.505 5
Mid Mid (pH 6-8) 4.69 9.95 -47.2 0 6 -1 69 459.497 5
Mid Mid (pH 6-8) 4.69 11.61 -45.68 2 6 1 67 461.513 5
Mid Mid (pH 6-8) 4.69 12.17 -32.27 1 6 0 70 460.505 5

Activity (Go SEA)

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