UCSF

ZINC26485181

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 29 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) 2.63 7.77 -19.93 1 9 0 111 414.491 4
Mid Mid (pH 6-8) 2.63 9.83 -71.37 2 9 1 112 415.499 4

Activity (Go SEA)

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