UCSF

ZINC07991517

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 23 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) 1.41 -4.21 -18.59 1 5 0 69 308.337 4
Mid Mid (pH 6-8) 1.41 -3.37 -46.34 2 5 1 71 309.345 4

Activity (Go SEA)

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